6-(3-chlorophenyl)-4-methyl-2-oxidanylidene-3-(1-phenylethylcarbamoyl)-1,6-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-(3-chlorophenyl)-4-methyl-2-oxidanylidene-3-(1-phenylethylcarbamoyl)-1,6-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-(3-chlorophenyl)-4-methyl-2-oxo-3-(1-phenylethylcarbamoyl)-1,6-dihydropyrimidine-5-carboxylic acid CAS Name: 6-(3-chlorophenyl)-4-methyl-2-oxo-3-[oxo-(1-phenylethylamino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-(3-chlorophenyl)-4-methyl-2-oxo-3-(1-phenylethylcarbamoyl)-1,6-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-(3-chlorophenyl)-2-keto-4-methyl-3-(1-phenylethylcarbamoyl)-1,6-dihydropyrimidine-5-carboxylic acid Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C(=O)NC(C)C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(NC(=O)N1C(=O)NC(C)C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C21H20ClN3O4/c1-12(14-7-4-3-5-8-14)23-20(28)25-13(2)17(19(26)27)18(24-21(25)29)15-9-6-10-16(22)11-15/h3-12,18H,1-2H3,(H,23,28)(H,24,29)(H,26,27)