N6-(pyridin-3-ylmethyl)-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

Systemtic Name: N6-(pyridin-3-ylmethyl)-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine Openeye Name: N6-(3-pyridylmethyl)-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine CAS Name: N6-(3-pyridinylmethyl)-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-[2-(trifluoromethyl)phenyl]amine Formula: C17H15F3N6 MolecularWeight: 360.33641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

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