2-(7,8-dimethoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: 2-(7,8-dimethoxy-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-(4-keto-7,8-dimethoxy-5H-pyrimid[5,4-b]indol-3-yl)-N-[4-(methylthio)benzyl]acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC(=O)NCC4=CC=C(C=C4)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC(=O)NCC4=CC=C(C=C4)SC)OC

InChI

InChI=1S/C22H22N4O4S/c1-29-17-8-15-16(9-18(17)30-2)25-21-20(15)24-12-26(22(21)28)11-19(27)23-10-13-4-6-14(31-3)7-5-13/h4-9,12,25H,10-11H2,1-3H3,(H,23,27)