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

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C15H9F6N3O3 MolecularWeight: 393.240679

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)C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H9F6N3O3/c1-6-10(5-22)11(24(13(26)27)12(25)23-6)7-2-8(14(16,17)18)4-9(3-7)15(19,20)21/h2-4,11H,1H3,(H,23,25)(H,26,27)