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

Systemtic Name: 8-methoxy-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-keto-2-(4-phenylpiperazino)ethyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C23H23N5O3S MolecularWeight: 449.52542

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O3S/c1-31-16-7-8-18-17(13-16)20-21(24-18)22(30)28(23(32)25-20)14-19(29)27-11-9-26(10-12-27)15-5-3-2-4-6-15/h2-8,13,24H,9-12,14H2,1H3,(H,25,32)