4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

Systemtic Name: 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide Openeye Name: 4-(4-pyridylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide CAS Name: 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide Traditional Name: 4-(4-pyridylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide Formula: C18H14F3N5O MolecularWeight: 373.33187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CN=CN=C2NCC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CN=CN=C2NCC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N5O/c19-18(20,21)13-2-1-3-14(8-13)26-17(27)15-10-23-11-25-16(15)24-9-12-4-6-22-7-5-12/h1-8,10-11H,9H2,(H,26,27)(H,23,24,25)