3-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine

Systemtic Name: 3-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine Openeye Name: 3-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine CAS Name: 3-[[3-(trifluoromethyl)phenyl]methyl]-6-purinamine IUPAC Name: 3-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine Traditional Name: [3-[3-(trifluoromethyl)benzyl]purin-6-yl]amine Formula: C13H10F3N5 MolecularWeight: 293.24721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC(=C3C2=NC=N3)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC(=C3C2=NC=N3)N

InChI

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