null CDK 0224162157 null 35 39 0 0 0 0 0 0 0 0999 V2000 -0.3984 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -3.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.3646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 1.3646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 0.0165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 1.4455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 2.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 2.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 2.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 3.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 2.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 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 5 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 8 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 20 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 M END > CHEBI:93753 > 1-[4-[[2-(2-amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)-6-thieno[3,2-d]pyrimidinyl]methyl]-1-piperazinyl]-2-hydroxy-1-propanone > 2 > C23H30N8O3S > 498.603 > 498.21616 > 0 > CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O > InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26) > YOVVNQKCSKSHKT-UHFFFAOYSA-N > LSM-4257 $$$$