-ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 3.2542 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -0.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 5 3 1 0 0 0 0 10 7 2 0 0 0 0 16 14 2 0 0 0 0 M END > (S0312) S0312 > (S0312) 4-Chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine > (S0312) 374104-63-9 > (S0312) HA; HC; PM > (S0312) Thieno[2,3-d]pyrimidine, 4-chloro-5-(4-methylphenyl)- > (S0312) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 0.6417 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 0.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 0.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 2.3833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 15 12 1 0 0 0 0 M END > (S0322) S0322 > (S0322) 2-Methyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-4-thione > (S0322) 23922-04-5 > (S0322) HC; SH; PM > (S0322) [1]Benzothieno[2,3-d]pyrimidine-4(3H)-thione, 5,6,7,8-tetrahydro-2-methyl- > (S0322) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 2.9167 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.0542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 8 1 0 0 0 0 9 6 2 0 0 0 0 12 15 1 0 0 0 0 M END > (S0323) S0323 > (S0323) 4-Chloro-2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine > (S0323) 81765-97-1 > (S0323) HA; HC; PM > (S0323) [1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-2-methyl- > (S0323) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 2.6667 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 4 5 2 0 0 0 0 6 8 2 0 0 0 0 15 14 1 0 0 0 0 M END > (S0324) S0324 > (S0324) 5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ylhydrazine > (S0324) 40106-45-4 > (S0324) AM; HC; PM > (S0324) [1]Benzothieno[2,3-d]pyrimidine, 4-hydrazino-5,6,7,8-tetrahydro- > (S0324) true $$$$ -ISIS- 11270914432D 13 15 0 0 0 0 0 0 0 0999 V2000 3.0375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -1.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 0.4333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 13 11 1 0 0 0 0 M END > (S0328) S0328 > (S0328) 6,7-Dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thiol > (S0328) 306281-11-8 > (S0328) HC; SH; PM > (S0328) 5H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-4-thiol, 6,7-dihydro- > (S0328) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 1.6500 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.2792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 1.0375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 4 3 2 0 0 0 0 6 8 2 0 0 0 0 17 15 2 0 0 0 0 M END > (S0332) S0332 > (S0332) 4-Chloro-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine > (S0332) none > (S0332) HA; HC; PM > (S0332) Thieno[2,3-d]pyrimidine, 4-chloro-6-methyl-5-(4-methylphenyl)- > (S0332) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 3.2167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 1.9208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 6 1 0 0 0 0 14 15 2 0 0 0 0 15 12 1 0 0 0 0 16 11 2 0 0 0 0 17 14 1 0 0 0 0 5 3 1 0 0 0 0 10 7 2 0 0 0 0 14 16 1 0 0 0 0 M END > (S0334) S0334 > (S0334) 4-Chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine > (S0334) 331761-46-7 > (S0334) HA; HC; PM > (S0334) Thieno[2,3-d]pyrimidine, 4-chloro-5-(4-chlorophenyl)- > (S0334) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 1.8417 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 1.7208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8458 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 3 2 0 0 0 0 6 8 2 0 0 0 0 14 13 1 0 0 0 0 M END > (S0336) S0336 > (S0336) 7-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrosulfide > (S0336) 314260-78-1 > (S0336) HC; SH; PM > (S0336) [1]Benzothieno[2,3-d]pyrimidine-4-thiol, 5,6,7,8-tetrahydro-7-methyl- > (S0336) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 1.8667 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.7208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 1.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 3 2 0 0 0 0 6 8 2 0 0 0 0 14 13 1 0 0 0 0 M END > (S0337) S0337 > (S0337) 4-Chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine > (S0337) 137438-23-4 > (S0337) HA; HC; PM > (S0337) [1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-7-methyl- > (S0337) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 1.7542 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.1667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.1458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 5 3 1 0 0 0 0 9 7 2 0 0 0 0 16 15 1 0 0 0 0 M END > (S0348) S0348 > (S0348) 4-Chloro-5-phenylthieno[2,3-d]pyrimidine > (S0348) 182198-35-2 > (S0348) HA; HC; PM > (S0348) Thieno[2,3-d]pyrimidine, 4-chloro-5-phenyl- > (S0348) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 1.7042 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 0.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 2.0083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 2.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3542 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 9 1 0 0 0 0 16 14 1 0 0 0 0 6 3 1 0 0 0 0 9 7 2 0 0 0 0 11 14 1 0 0 0 0 M END > (S0349) S0349 > (S0349) 4-Chloro-2,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine > (S0349) none > (S0349) HA; HC; PM > (S0349) [1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-2,7-dimethyl- > (S0349) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 2.2375 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 4 5 2 0 0 0 0 6 8 2 0 0 0 0 13 15 1 0 0 0 0 M END > (S0361) S0361 > (S0361) 4-Chloro-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine > (S0361) 40106-58-9 > (S0361) HA; HC; PM > (S0361) 5H-Cyclohepta[4,5]thieno[2,3-d]pyrimidine, 4-chloro-6,7,8,9-tetrahydro- > (S0361) true $$$$ -ISIS- 11270914432D 14 16 0 0 0 0 0 0 0 0999 V2000 3.4000 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -1.5375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 1.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 14 13 1 0 0 0 0 M END > (S0366) S0366 > (S0366) 4-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine > (S0366) 40493-18-3 > (S0366) HA; HC; PM > (S0366) [1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro- > (S0366) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 4.1875 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 0.5833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 M END > (S0367) S0367 > (S0367) 4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine > (S0367) 108831-68-1 > (S0367) HA; HC; PM > (S0367) Thieno[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl- > (S0367) true $$$$ -ISIS- 11270914432D 14 16 0 0 0 0 0 0 0 0999 V2000 3.4292 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 0.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 4 5 2 0 0 0 0 6 8 2 0 0 0 0 14 13 1 0 0 0 0 M END > (S0368) S0368 > (S0368) 5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-thione > (S0368) 40277-39-2 > (S0368) HC; SH; PM > (S0368) [1]Benzothieno[2,3-d]pyrimidine-4(3H)-thione, 5,6,7,8-tetrahydro- > (S0368) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 2.8625 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -2.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.1208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 5 3 1 0 0 0 0 10 7 2 0 0 0 0 16 15 1 0 0 0 0 M END > (S0375) S0375 > (S0375) 5-(4-Methylphenyl)thieno[2,3-d]pyrimidine-4(3H)-thione > (S0375) 307512-34-1 > (S0375) HC; SH; PM > (S0375) Thieno[2,3-d]pyrimidine-4(3H)-thione, 5-(4-methylphenyl)- > (S0375) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 2.9167 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.2083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 M END > (S0376) S0376 > (S0376) 5,6-Dimethylthieno[2,3-d]pyrimidine-4(3H)-thione > (S0376) 307512-33-0 > (S0376) HC; SH; PM > (S0376) Thieno[2,3-d]pyrimidine-4(3H)-thione, 5,6-dimethyl- > (S0376) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 2.9250 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 0.1333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 4 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 4 3 2 0 0 0 0 8 6 2 0 0 0 0 14 17 2 0 0 0 0 M END > (S0377) S0377 > (S0377) 5-(4-Chlorophenyl)-6-methylthieno[2,3-d]pyrimidine-4(3H)-thione > (S0377) 500198-74-3 > (S0377) HA; HC; SH; PM > (S0377) Thieno[2,3-d]pyrimidine-4(3H)-thione, 5-(4-chlorophenyl)-6-methyl- > (S0377) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 2.9792 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 0.9583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 15 1 0 0 0 0 15 12 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 3 5 1 0 0 0 0 7 10 2 0 0 0 0 16 14 2 0 0 0 0 M END > (S0646) S0646 > (S0646) 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine > (S0646) 312584-53-5 > (S0646) HA; HC; PM > (S0646) thieno[2,3-d]pyrimidine, 4-chloro-5-(4-methoxyphenyl)- > (S0646) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 0.6500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 1.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 2.2958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 8 4 1 0 0 0 0 6 9 2 0 0 0 0 16 12 1 0 0 0 0 M END > (S0648) S0648 > (S0648) 4-chloro-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine > (S0648) 401511-17-9 > (S0648) HA; HC; PM > (S0648) [1]benzothieno[2,3-d]pyrimidine, 4-chloro-2-ethyl-5,6,7,8-tetrahydro- > (S0648) true $$$$ -ISIS- 11270914432D 10 11 0 0 0 0 0 0 0 0999 V2000 0.7417 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 9 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 6 3 1 0 0 0 0 8 5 2 0 0 0 0 M END > (S1532) S1532 > (S1532) 1H-pyrazolo[3,4-d]pyrimidin-4-amine > (S1532) 20289-44-5 > (S1532) AM; HC; PM > (S1532) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 0.2000 -0.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9875 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -0.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 2.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0625 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 6 1 0 0 0 0 11 8 2 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 5 4 1 0 0 0 0 15 14 1 0 0 0 0 7 9 2 0 0 0 0 M END > (S1533) S1533 > (S1533) cyclopentanol, 3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)- > (S1533) 948005-88-7 > (S1533) AM; HC; PM > (S1533) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 3.6417 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -2.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -4.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -3.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3625 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 10 1 0 0 0 0 6 9 2 0 0 0 0 7 5 2 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 6 8 1 0 0 0 0 M END > (S1595) S1595 > (S1595) 3-[2-(diethylamino)pyrimidin-5-yl]propanoic acid > (S1595) 948006-29-9 > (S1595) AC; HC; PM > (S1595) true $$$$ -ISIS- 11270914432D 10 11 0 0 0 0 0 0 0 0999 V2000 5.0250 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -3.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -3.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -2.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -1.1292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 9 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 3 6 1 0 0 0 0 5 8 2 0 0 0 0 M END > (S1678) S1678 > (S1678) 4-chloro-1H-pyrazolo[3,4-d]pyrimidine > (S1678) 5399-92-8 > (S1678) HA; HC; PM > (S1678) true $$$$ -ISIS- 11270914432D 10 11 0 0 0 0 0 0 0 0999 V2000 4.8042 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -3.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -3.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -3.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -2.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 9 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 3 6 1 0 0 0 0 5 8 2 0 0 0 0 M END > (S1679) S1679 > (S1679) 1H-pyrazolo[3,4-d]pyrimidin-4-ol > (S1679) 315-30-0 > (S1679) HC; PM > (S1679) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 0.6750 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 2.1208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 0.3458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 9 10 2 0 0 0 0 5 8 1 0 0 0 0 M END > (S1691) S1691 > (S1691) 4-chloro-6-methoxy-7-quinazolinol hydrochloride > (S1691) 1182284-38-3 > (S1691) HA; HC; PM > (S1691) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 0.9792 -0.9292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 0.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -3.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4750 1.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 12 8 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 4 5 1 0 0 0 0 13 14 1 0 0 0 0 9 7 2 0 0 0 0 M END > (S1697) S1697 > (S1697) 4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-cyclopenten-1-ol > (S1697) 1086385-96-7 > (S1697) AM; HC; PM > (S1697) true $$$$ -ISIS- 11270914432D 24 27 0 0 0 0 0 0 0 0999 V2000 0.6792 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -3.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -3.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 7 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 16 1 0 0 0 0 21 16 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 22 2 0 0 0 0 5 3 1 0 0 0 0 8 10 1 0 0 0 0 14 19 2 0 0 0 0 23 24 1 0 0 0 0 M END > (S1716) S1716 > (S1716) 5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine > (S1716) 194787-36-5 > (S1716) AM; HC; PM > (S1716) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 5.2417 -5.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2417 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -3.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -3.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -5.6375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -5.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -5.6375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 9 6 2 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 6 1 0 0 0 0 8 3 1 0 0 0 0 M END > (S1762) S1762 > (S1762) 2-(trifluoromethyl)-5-pyrimidinecarboxylic acid > (S1762) 306960-77-0 > (S1762) AC; FL; HC; PM > (S1762) true $$$$ -ISIS- 11270914432D 20 22 0 0 0 0 0 0 0 0999 V2000 0.1542 -4.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -3.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -4.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -4.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 5 4 2 0 0 0 0 7 9 2 0 0 0 0 20 15 2 0 0 0 0 M END > (S1770) S1770 > (S1770) 6-{[3-(aminomethyl)benzyl]oxy}-9H-purin-2-amine > (S1770) 948903-72-8 > (S1770) AM; HC; PM > (S1770) 6-{[3-(aminomethyl)benzyl]oxy}-9H-purin-2-ylamine > (S1770) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -3.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 5 4 2 0 0 0 0 M END > (S1833) S1833 > (S1833) methyl 2-[(6-chloro-4-pyrimidinyl)amino]acetate > (S1833) 1086386-57-3 > (S1833) AC; AM; HA; HC; PM > (S1833) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 2 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 12 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 5 6 1 0 0 0 0 8 13 1 0 0 0 0 M END > (S1834) S1834 > (S1834) 4-(6-chloro-4-pyrimidinyl)morpholine > (S1834) 22177-92-0 > (S1834) HA; HC; PM > (S1834) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 2 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 13 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 5 6 1 0 0 0 0 8 14 1 0 0 0 0 M END > (S1835) S1835 > (S1835) 4-(6-hydrazino-4-pyrimidinyl)morpholine > (S1835) 5767-36-2 > (S1835) AM; HC; PM > (S1835) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 2 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 M END > (S1836) S1836 > (S1836) 4-chloro-6-(1-pyrrolidinyl)pyrimidine > (S1836) 939986-64-8 > (S1836) HA; HC; PM > (S1836) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 2 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 5 6 1 0 0 0 0 13 12 1 0 0 0 0 M END > (S1837) S1837 > (S1837) 4-chloro-6-(1-piperidinyl)pyrimidine > (S1837) 1722-14-1 > (S1837) HA; HC; PD; PM > (S1837) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 3.6125 -5.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -3.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 5 4 2 0 0 0 0 15 14 2 0 0 0 0 M END > (S1838) S1838 > (S1838) N-benzyl-6-chloro-4-pyrimidinamine > (S1838) 61667-16-1 > (S1838) AM; HA; HC; PM > (S1838) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -5.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 13 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 5 4 2 0 0 0 0 8 12 2 0 0 0 0 M END > (S1839) S1839 > (S1839) 6-chloro-N-(4-pyridinylmethyl)-4-pyrimidinamine > (S1839) 1086386-59-5 > (S1839) AM; HA; HC; PM > (S1839) . N-(6-chloro-4-pyrimidinyl)-N-(4-pyridinylmethyl)amine > (S1839) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 5.1000 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -4.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 11 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 14 2 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 6 3 2 0 0 0 0 12 8 1 0 0 0 0 M END > (S1840) S1840 > (S1840) N-(6-chloro-4-pyrimidinyl)-N-(3-pyridinyl)amine > (S1840) 945896-57-1 > (S1840) AM; HA; HC; PM > (S1840) 6-chloro-N-(3-pyridinyl)-4-pyrimidinamine > (S1840) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 13 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 5 1 0 0 0 0 5 4 2 0 0 0 0 11 12 2 0 0 0 0 M END > (S1841) S1841 > (S1841) N-(6-chloro-4-pyrimidinyl)-N-(2-furylmethyl)amine > (S1841) 99846-86-3 > (S1841) AM; HA; HC; FU; PM > (S1841) 6-chloro-N-(2-furylmethyl)-4-pyrimidinamine > (S1841) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 5.1667 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -1.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5542 -5.5542 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.8417 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5542 -2.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 7 2 0 0 0 0 5 2 1 0 0 0 0 6 13 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 6 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 6 1 0 0 0 0 16 6 1 0 0 0 0 17 5 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 20 23 1 0 0 0 0 21 19 1 0 0 0 0 22 18 1 0 0 0 0 23 17 1 0 0 0 0 4 5 1 0 0 0 0 11 9 1 0 0 0 0 14 22 1 0 0 0 0 M END > (S1842) S1842 > (S1842) {2-[4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethoxy}methylphosphonic acid > (S1842) 1086386-61-9 > (S1842) HC; PM > (S1842) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 5.1667 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -1.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5542 -5.5542 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.8417 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -2.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0792 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 7 2 0 0 0 0 5 2 1 0 0 0 0 6 13 1 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 17 1 0 0 0 0 14 6 1 0 0 0 0 15 6 1 0 0 0 0 16 5 1 0 0 0 0 17 20 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 4 5 1 0 0 0 0 10 8 1 0 0 0 0 M END > (S1843) S1843 > (S1843) {2-[4-(dimethylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethoxy}methylphosphonic acid > (S1843) 1086386-63-1 > (S1843) HC; PM > (S1843) true $$$$ -ISIS- 11270914432D 21 23 0 0 0 0 0 0 0 0999 V2000 5.1667 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -1.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5542 -5.5542 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.8417 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -2.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 7 2 0 0 0 0 5 2 1 0 0 0 0 6 16 1 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 6 2 0 0 0 0 16 20 1 0 0 0 0 17 6 1 0 0 0 0 18 6 1 0 0 0 0 19 5 1 0 0 0 0 20 21 1 0 0 0 0 21 19 1 0 0 0 0 4 5 1 0 0 0 0 12 8 1 0 0 0 0 13 14 1 0 0 0 0 M END > (S1844) S1844 > (S1844) {2-[4-(cyclopropylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethoxy}methylphosphonic acid > (S1844) 1086386-65-3 > (S1844) AM; HC; PM > (S1844) true $$$$ -ISIS- 11270914432D 22 24 0 0 0 0 0 0 0 0999 V2000 1.4375 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -0.2292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8250 -3.3042 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.1125 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.7583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8250 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 0.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 7 2 0 0 0 0 5 2 1 0 0 0 0 6 13 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 6 2 0 0 0 0 13 19 1 0 0 0 0 14 6 1 0 0 0 0 15 6 1 0 0 0 0 16 5 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 20 1 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 22 17 1 0 0 0 0 4 5 1 0 0 0 0 11 9 1 0 0 0 0 21 22 1 0 0 0 0 M END > (S1845) S1845 > (S1845) {2-[4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethoxy}methylphosphonic acid > (S1845) 1086386-67-5 > (S1845) HC; PM > (S1845) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 4.7375 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -3.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -1.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4542 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -3.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -3.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 10 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 9 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 14 1 0 0 0 0 12 5 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 7 3 1 0 0 0 0 11 15 1 0 0 0 0 8 4 1 0 0 0 0 M END > (S1854) S1854 > (S1854) 4-(1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidine > (S1854) 853687-31-7 > (S1854) AM; HC; PZ; PM > (S1854) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 3.4250 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -4.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -5.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -5.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -6.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -4.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 5 2 2 0 0 0 0 M END > (S1855) S1855 > (S1855) 2-methoxy-5-pyrimidinecarboxylic acid > (S1855) 344325-95-7 > (S1855) AC; HC; PM > (S1855) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 2.4542 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -4.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 7 3 1 0 0 0 0 M END > (S1885) S1885 > (S1885) ethyl 4-hydroxy-2-methoxy-5-pyrimidinecarboxylate > (S1885) 65407-49-0 > (S1885) AC; HC; PM > (S1885) true $$$$ -ISIS- 11270914432D 20 22 0 0 0 0 0 0 0 0999 V2000 9.5792 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -5.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -4.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0167 -5.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -5.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -3.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -5.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7375 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6042 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 5 2 0 0 0 0 13 10 2 0 0 0 0 14 17 2 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 4 1 0 0 0 0 19 6 1 0 0 0 0 20 11 1 0 0 0 0 3 4 1 0 0 0 0 8 7 2 0 0 0 0 12 14 1 0 0 0 0 M END > (S2024) S2024 > (S2024) N-(2-chloropyrimidin-4-yl)-N,2,3-trimethyl-2H-indazol-6-amine > (S2024) 444731-75-3 > (S2024) HA; HC; PM > (S2024) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 6.2875 -6.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -6.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -4.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -5.3417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -7.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -4.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 3 7 1 0 0 0 0 M END > (S2033) S2033 > (S2033) ethyl 4-chloro-2-methoxypyrimidine-5-carboxylate > (S2033) 65269-18-3 > (S2033) AC; HA; HC; PM > (S2033) true $$$$