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

Systemtic Name: 3-(4-methylphenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-methylphenyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-methylphenyl)-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-(p-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C29H27N5O2S MolecularWeight: 509.62198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C29H27N5O2S/c1-20-11-13-22(14-12-20)34-28(36)27-26(23-9-5-6-10-24(23)30-27)31-29(34)37-19-25(35)33-17-15-32(16-18-33)21-7-3-2-4-8-21/h2-14,30H,15-19H2,1H3