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

Systemtic Name: 8-methoxy-3-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-keto-3-[4-(2-pyridyl)piperazino]propyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C23H24N6O3S MolecularWeight: 464.54006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C23H24N6O3S/c1-32-15-5-6-17-16(14-15)20-21(25-17)22(31)29(23(33)26-20)9-7-19(30)28-12-10-27(11-13-28)18-4-2-3-8-24-18/h2-6,8,14,25H,7,9-13H2,1H3,(H,26,33)