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

Systemtic Name: 8-methoxy-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O3S/c1-31-14-5-6-16-15(12-14)19-20(24-16)21(30)28(22(32)25-19)13-18(29)27-10-8-26(9-11-27)17-4-2-3-7-23-17/h2-7,12,24H,8-11,13H2,1H3,(H,25,32)