N6-(pyridin-3-ylmethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

Systemtic Name: N6-(pyridin-3-ylmethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine Openeye Name: N6-(3-pyridylmethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine CAS Name: N6-(3-pyridinylmethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C17H15F3N6 MolecularWeight: 360.33641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H15F3N6/c18-17(19,20)12-3-5-13(6-4-12)26-16-14(21)15(24-10-25-16)23-9-11-2-1-7-22-8-11/h1-8,10H,9,21H2,(H2,23,24,25,26)