(phenylmethyl) 2-[(4-cyanophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-cyanophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: benzyl 2-(4-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(4-cyanoanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-cyanoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid benzyl ester Formula: C20H13F3N4O2 MolecularWeight: 398.33803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H13F3N4O2/c21-20(22,23)17-16(18(28)29-12-14-4-2-1-3-5-14)11-25-19(27-17)26-15-8-6-13(10-24)7-9-15/h1-9,11H,12H2,(H,25,26,27)