ethyl 4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate

Systemtic Name: ethyl 4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-chlorophenyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 4-[3-(4-chlorophenyl)phenyl]-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3/c1-3-28-21(27)25-19(18(12-23)13(2)24-20(25)26)16-6-4-5-15(11-16)14-7-9-17(22)10-8-14/h4-11,19H,3H2,1-2H3,(H,24,26)