ethyl 6-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H19F3N4O3S MolecularWeight: 476.47147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

InChI

InChI=1S/C22H19F3N4O3S/c1-3-32-20(30)17-16(28-21(31)29-18(17)13-7-5-4-6-8-13)11-33-19-14(10-26)15(22(23,24)25)9-12(2)27-19/h4-9,18H,3,11H2,1-2H3,(H2,28,29,31)