N-(phenylmethyl)-2-(trifluoromethyl)-5H-purin-6-amine

Systemtic Name: N-(phenylmethyl)-2-(trifluoromethyl)-5H-purin-6-amine Openeye Name: N-benzyl-2-(trifluoromethyl)-5H-purin-6-amine CAS Name: N-(phenylmethyl)-2-(trifluoromethyl)-5H-purin-6-amine IUPAC Name: N-benzyl-2-(trifluoromethyl)-5H-purin-6-amine Traditional Name: benzyl-[2-(trifluoromethyl)-5H-purin-6-yl]amine Formula: C13H10F3N5 MolecularWeight: 293.24721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=NC=NC32)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=NC=NC32)C(F)(F)F

InChI

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