8-methoxy-3-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 8-methoxy-3-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 8-methoxy-3-[4-(pyrrolidine-1-carbonyl)benzyl]-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C23H22N4O3S/c1-30-16-8-9-18-17(12-16)19-20(24-18)22(29)27(23(31)25-19)13-14-4-6-15(7-5-14)21(28)26-10-2-3-11-26/h4-9,12,24H,2-3,10-11,13H2,1H3,(H,25,31)