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

Systemtic Name: 8-methoxy-3-[5-oxidanylidene-5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[5-oxo-5-[4-(1-piperidyl)-1-piperidyl]pentyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[5-oxo-5-[4-(1-piperidinyl)-1-piperidinyl]pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[5-oxo-5-(4-piperidin-1-ylpiperidin-1-yl)pentyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-keto-5-(4-piperidinopiperidino)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)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C26H35N5O3S/c1-34-19-8-9-21-20(17-19)23-24(27-21)25(33)31(26(35)28-23)14-6-3-7-22(32)30-15-10-18(11-16-30)29-12-4-2-5-13-29/h8-9,17-18,27H,2-7,10-16H2,1H3,(H,28,35)