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

Systemtic Name: ethyl 4-[2-fluoranyl-3-(trifluoromethyl)phenyl]-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-[2-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-[2-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H17F4N3O2 MolecularWeight: 407.361493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=C(C(=CC=C2)C(F)(F)F)F)C3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=C(C(=CC=C2)C(F)(F)F)F)C3=CC=CC=N3)C

InChI

InChI=1S/C20H17F4N3O2/c1-3-29-19(28)15-11(2)26-18(14-9-4-5-10-25-14)27-17(15)12-7-6-8-13(16(12)21)20(22,23)24/h4-10,17H,3H2,1-2H3,(H,26,27)