2-[(3-fluorophenyl)amino]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)amino]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-fluoroanilino)-N-(2-pyridylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-fluoroanilino)-N-(2-pyridinylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-fluoroanilino)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(3-fluoroanilino)-N-(2-pyridylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C18H13F4N5O MolecularWeight: 391.322333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F4N5O/c19-11-4-3-6-12(8-11)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-13-5-1-2-7-23-13/h1-8,10H,9H2,(H,24,28)(H,25,26,27)