ethyl 4-(pyridin-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(pyridin-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-pyridylmethylamino)-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate CAS Name: 4-(2-pyridinylmethylamino)-2-[4-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(pyridin-2-ylmethylamino)-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate Traditional Name: 4-(2-pyridylmethylamino)-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17F3N4O2 MolecularWeight: 402.36979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC=N2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC=N2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O2/c1-2-29-19(28)16-12-26-17(13-6-8-14(9-7-13)20(21,22)23)27-18(16)25-11-15-5-3-4-10-24-15/h3-10,12H,2,11H2,1H3,(H,25,26,27)