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

Systemtic Name: ethyl 4-[2,5-bis(trifluoromethyl)phenyl]-5-cyano-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 4-[2,5-bis(trifluoromethyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 4-[2,5-bis(trifluoromethyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2,5-bis(trifluoromethyl)phenyl]-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 4-[2,5-bis(trifluoromethyl)phenyl]-5-cyano-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C17H13F6N3O3 MolecularWeight: 421.293839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=C(C=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=C(C=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H13F6N3O3/c1-3-29-15(28)26-13(11(7-24)8(2)25-14(26)27)10-6-9(16(18,19)20)4-5-12(10)17(21,22)23/h4-6,13H,3H2,1-2H3,(H,25,27)