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

Systemtic Name: ethyl 4-[(phenylmethyl)amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(benzylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 4-[(phenylmethyl)amino]-2-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 4-(benzylamino)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14F3N3O2 MolecularWeight: 325.28577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O2/c1-2-23-13(22)11-9-20-14(15(16,17)18)21-12(11)19-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,19,20,21)