null CDK 0224162154 null 31 36 0 0 0 0 0 0 0 0999 V2000 -2.6462 -3.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 -4.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 -4.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2962 -3.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 -2.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 -2.8414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 -1.4124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -2.1269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5663 0.0867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2337 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 0.0867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6858 0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3532 -0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0206 0.3416 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7657 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9407 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 10 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 9 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 27 1 0 0 0 0 M END > CHEBI:92938 > N-(1H-benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine > 2 > C21H20N8OS > 432.503 > 432.14808 > 0 > C1COCCN1C2=NC3=C(C(=N2)NCC4=NC5=CC=CC=C5N4)N=CN3C6=CSC=C6 > InChI=1S/C21H20N8OS/c1-2-4-16-15(3-1)24-17(25-16)11-22-19-18-20(29(13-23-18)14-5-10-31-12-14)27-21(26-19)28-6-8-30-9-7-28/h1-5,10,12-13H,6-9,11H2,(H,24,25)(H,22,26,27) > NIFSAJKTGRRAOJ-UHFFFAOYSA-N > LSM-3191 $$$$