3-(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylphenyl)propanamide

Systemtic Name: 3-(8-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylphenyl)propanamide Openeye Name: 3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(m-tolyl)propanamide CAS Name: 3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylphenyl)propanamide IUPAC Name: 3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylphenyl)propanamide Traditional Name: 3-(4-keto-8-methyl-5H-pyrimid[5,4-b]indol-3-yl)-N-(m-tolyl)propionamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)C

InChI

InChI=1S/C21H20N4O2/c1-13-4-3-5-15(10-13)23-18(26)8-9-25-12-22-19-16-11-14(2)6-7-17(16)24-20(19)21(25)27/h3-7,10-12,24H,8-9H2,1-2H3,(H,23,26)