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

Systemtic Name: 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c27-18(25-12-6-7-13-25)14-29-22-24-19-16-10-4-5-11-17(16)23-20(19)21(28)26(22)15-8-2-1-3-9-15/h1-5,8-11,23H,6-7,12-14H2