methyl 2-[(3-bromophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[(3-bromophenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-(3-bromoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(3-bromoanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(3-bromoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester Formula: C13H9BrF3N3O2 MolecularWeight: 376.12867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H9BrF3N3O2/c1-22-11(21)9-6-18-12(20-10(9)13(15,16)17)19-8-4-2-3-7(14)5-8/h2-6H,1H3,(H,18,19,20)