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

Systemtic Name: 4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-3-(2-pyridin-4-ylethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-3-[2-(4-pyridyl)ethylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-3-[oxo-(2-pyridin-4-ylethylamino)methyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-6-methyl-2-oxo-3-(2-pyridin-4-ylethylcarbamoyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-2-keto-6-methyl-3-[2-(4-pyridyl)ethylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCCC2=CC=NC=C2)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NCCC2=CC=NC=C2)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C20H19ClN4O4/c1-12-16(18(26)27)17(14-3-2-4-15(21)11-14)25(20(29)24-12)19(28)23-10-7-13-5-8-22-9-6-13/h2-6,8-9,11,17H,7,10H2,1H3,(H,23,28)(H,24,29)(H,26,27)