methyl (4S)-1-ethyl-6-methyl-2-(2-pyridin-2-ylethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-1-ethyl-6-methyl-2-(2-pyridin-2-ylethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-ethyl-6-methyl-2-[2-(2-pyridyl)ethylamino]-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-6-methyl-2-[2-(2-pyridinyl)ethylamino]-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-6-methyl-2-(2-pyridin-2-ylethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-ethyl-6-methyl-2-[2-(2-pyridyl)ethylamino]-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H25F3N4O2 MolecularWeight: 446.46541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1NCCC2=CC=CC=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1NCCC2=CC=CC=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C23H25F3N4O2/c1-4-30-15(2)19(21(31)32-3)20(16-8-7-9-17(14-16)23(24,25)26)29-22(30)28-13-11-18-10-5-6-12-27-18/h5-10,12,14,20H,4,11,13H2,1-3H3,(H,28,29)/t20-/m0/s1