2-[(3-bromophenyl)amino]-N-(phenylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-bromophenyl)amino]-N-(phenylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-(3-bromoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-bromoanilino)-N-(phenylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-(3-bromoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-benzyl-2-(3-bromoanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C19H14BrF3N4O MolecularWeight: 451.23987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H14BrF3N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,24,28)(H,25,26,27)