9-[[2-(trifluoromethyl)phenyl]methyl]purin-6-amine

Systemtic Name: 9-[[2-(trifluoromethyl)phenyl]methyl]purin-6-amine Openeye Name: 9-[[2-(trifluoromethyl)phenyl]methyl]purin-6-amine CAS Name: 9-[[2-(trifluoromethyl)phenyl]methyl]-6-purinamine IUPAC Name: 9-[[2-(trifluoromethyl)phenyl]methyl]purin-6-amine Traditional Name: [9-[2-(trifluoromethyl)benzyl]purin-6-yl]amine Formula: C13H10F3N5 MolecularWeight: 293.24721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3N)C(F)(F)F

InChI

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