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

Systemtic Name: ethyl 5-cyano-4-[2-fluoranyl-5-(trifluoromethyl)phenyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 5-cyano-4-[2-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-cyano-4-[2-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-[2-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 5-cyano-4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C16H13F4N3O3 MolecularWeight: 371.286333

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C16H13F4N3O3/c1-3-26-15(25)23-13(11(7-21)8(2)22-14(23)24)10-6-9(16(18,19)20)4-5-12(10)17/h4-6,13H,3H2,1-2H3,(H,22,24)