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

Systemtic Name: ethyl 5-cyano-6-methyl-2-oxidanylidene-4-(3-phenylphenyl)-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-oxo-4-(3-phenylphenyl)-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-oxo-4-(3-phenylphenyl)-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-oxo-4-(3-phenylphenyl)-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-methyl-4-(3-phenylphenyl)-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-3-27-21(26)24-19(18(13-22)14(2)23-20(24)25)17-11-7-10-16(12-17)15-8-5-4-6-9-15/h4-12,19H,3H2,1-2H3,(H,23,25)