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1-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentan-1-one
1-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentan-1-one
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Canonical SMILES:
CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C(=O)CCCCSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3
Isomeric SMILES
CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C(=O)CCCCSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3
InChI
InChI=1S/C34H36N6O3S/c1-24-22-38(19-20-39(24)33(42)26-15-17-27(43-2)18-16-26)30(41)14-8-9-21-44-34-35-32-31(36-37-34)28-12-6-7-13-29(28)40(32)23-25-10-4-3-5-11-25/h3-7,10-13,15-18,24H,8-9,14,19-23H2,1-2H3
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