N-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NC3=C2NC=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NC3=C2NC=N3)C(F)(F)F

InChI

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