3-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[4-(4-cyclohexylpiperazine-1-carbonyl)benzyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCN(CC5)C6CCCCC6

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCN(CC5)C6CCCCC6

InChI

InChI=1S/C29H33N5O3S/c1-37-22-11-12-24-23(17-22)25-26(30-24)28(36)34(29(38)31-25)18-19-7-9-20(10-8-19)27(35)33-15-13-32(14-16-33)21-5-3-2-4-6-21/h7-12,17,21,30H,2-6,13-16,18H2,1H3,(H,31,38)