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

Systemtic Name: 3-(3-chlorophenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-chlorophenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3-chlorophenyl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C22H19ClN4O2S MolecularWeight: 438.92986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

InChI

InChI=1S/C22H19ClN4O2S/c23-14-6-5-7-15(12-14)27-21(29)20-19(16-8-1-2-9-17(16)24-20)25-22(27)30-13-18(28)26-10-3-4-11-26/h1-2,5-9,12,24H,3-4,10-11,13H2