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

Systemtic Name: 3-[5-(4-cyclohexylpiperazin-1-yl)-5-oxidanylidene-pentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[5-(4-cyclohexylpiperazin-1-yl)-5-oxo-pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[5-(4-cyclohexyl-1-piperazinyl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[5-(4-cyclohexylpiperazin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-(4-cyclohexylpiperazino)-5-keto-pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C26H35N5O3S MolecularWeight: 497.6528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C26H35N5O3S/c1-34-19-10-11-21-20(17-19)23-24(27-21)25(33)31(26(35)28-23)12-6-5-9-22(32)30-15-13-29(14-16-30)18-7-3-2-4-8-18/h10-11,17-18,27H,2-9,12-16H2,1H3,(H,28,35)