ethyl 2-(4-methylpyrazol-1-yl)-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(4-methyl-1-pyrazolyl)-4-[3-(trifluoromethyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(4-methylpyrazol-1-yl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16F3N5O2 MolecularWeight: 391.34715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(F)(F)F)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(F)(F)F)N3C=C(C=N3)C

InChI

InChI=1S/C18H16F3N5O2/c1-3-28-16(27)14-9-22-17(26-10-11(2)8-23-26)25-15(14)24-13-6-4-5-12(7-13)18(19,20)21/h4-10H,3H2,1-2H3,(H,22,24,25)