4-[3,5-bis(chloranyl)phenyl]-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-4-(3,5-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-4-(3,5-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-4-(3,5-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-4-(3,5-dichlorophenyl)-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C13H9Cl2N3O3 MolecularWeight: 326.13486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC(=CC(=C2)Cl)Cl)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=CC(=CC(=C2)Cl)Cl)C#N

InChI

InChI=1S/C13H9Cl2N3O3/c1-6-10(5-16)11(18(13(20)21)12(19)17-6)7-2-8(14)4-9(15)3-7/h2-4,11H,1H3,(H,17,19)(H,20,21)