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

Systemtic Name: 4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-3-(2-phenoxyethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-3-(2-phenoxyethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-3-[oxo-(2-phenoxyethylamino)methyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-3-(2-phenoxyethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-2-keto-6-methyl-3-(2-phenoxyethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C21H20ClN3O5 MolecularWeight: 429.8536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCCOC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NCCOC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C21H20ClN3O5/c1-13-17(19(26)27)18(14-6-5-7-15(22)12-14)25(21(29)24-13)20(28)23-10-11-30-16-8-3-2-4-9-16/h2-9,12,18H,10-11H2,1H3,(H,23,28)(H,24,29)(H,26,27)