N-[[3,4,5-tris(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine

Systemtic Name: N-[[3,4,5-tris(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine Openeye Name: N-[[3,4,5-tris(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine CAS Name: N-[[3,4,5-tris(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine IUPAC Name: N-[[3,4,5-tris(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine Traditional Name: 7H-purin-6-yl-[3,4,5-tris(trifluoromethyl)benzyl]amine Formula: C15H8F9N5 MolecularWeight: 429.243149

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)CNC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=C(C=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)CNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H8F9N5/c16-13(17,18)7-1-6(2-8(14(19,20)21)9(7)15(22,23)24)3-25-11-10-12(27-4-26-10)29-5-28-11/h1-2,4-5H,3H2,(H2,25,26,27,28,29)