N2-butyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine Traditional Name: [6-amino-9-[4-(trifluoromethyl)benzyl]purin-2-yl]-butyl-amine Formula: C17H19F3N6 MolecularWeight: 364.36817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N6/c1-2-3-8-22-16-24-14(21)13-15(25-16)26(10-23-13)9-11-4-6-12(7-5-11)17(18,19)20/h4-7,10H,2-3,8-9H2,1H3,(H3,21,22,24,25)