ethyl 5-cyano-6-methyl-4-(2-methylphenyl)-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-4-(2-methylphenyl)-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-4-(o-tolyl)-2-oxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-cyano-6-methyl-4-(2-methylphenyl)-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-4-(2-methylphenyl)-2-oxo-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-methyl-4-(o-tolyl)-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC=CC=C2C

InChI

InChI=1S/C16H17N3O3/c1-4-22-16(21)19-14(12-8-6-5-7-10(12)2)13(9-17)11(3)18-15(19)20/h5-8,14H,4H2,1-3H3,(H,18,20)