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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,5-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCC5)C

InChI

InChI=1S/C24H24N4O2S/c1-15-11-16(2)13-17(12-15)28-23(30)22-21(18-7-3-4-8-19(18)25-22)26-24(28)31-14-20(29)27-9-5-6-10-27/h3-4,7-8,11-13,25H,5-6,9-10,14H2,1-2H3