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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

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