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

Systemtic Name: 3-(3-methoxyphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-methoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H22N4O3S MolecularWeight: 434.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCC5

InChI

InChI=1S/C23H22N4O3S/c1-30-16-8-6-7-15(13-16)27-22(29)21-20(17-9-2-3-10-18(17)24-21)25-23(27)31-14-19(28)26-11-4-5-12-26/h2-3,6-10,13,24H,4-5,11-12,14H2,1H3