3-(3-methoxyphenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(3-methoxyphenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-3-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C29H27N5O3S MolecularWeight: 525.62138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C29H27N5O3S/c1-37-22-11-7-10-21(18-22)34-28(36)27-26(23-12-5-6-13-24(23)30-27)31-29(34)38-19-25(35)33-16-14-32(15-17-33)20-8-3-2-4-9-20/h2-13,18,30H,14-17,19H2,1H3