N-(phenylmethyl)-6-(trifluoromethyl)-7H-purin-2-amine

Systemtic Name: N-(phenylmethyl)-6-(trifluoromethyl)-7H-purin-2-amine Openeye Name: N-benzyl-6-(trifluoromethyl)-7H-purin-2-amine CAS Name: N-(phenylmethyl)-6-(trifluoromethyl)-7H-purin-2-amine IUPAC Name: N-benzyl-6-(trifluoromethyl)-7H-purin-2-amine Traditional Name: benzyl-[6-(trifluoromethyl)-7H-purin-2-yl]amine Formula: C13H10F3N5 MolecularWeight: 293.24721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=C3C(=N2)N=CN3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=C3C(=N2)N=CN3)C(F)(F)F

InChI

InChI=1S/C13H10F3N5/c14-13(15,16)10-9-11(19-7-18-9)21-12(20-10)17-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,17,18,19,20,21)