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

Systemtic Name: 3-(2-methylphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(o-tolyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methylphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCC5

InChI

InChI=1S/C23H22N4O2S/c1-15-8-2-5-11-18(15)27-22(29)21-20(16-9-3-4-10-17(16)24-21)25-23(27)30-14-19(28)26-12-6-7-13-26/h2-5,8-11,24H,6-7,12-14H2,1H3