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

Systemtic Name: 8-bromanyl-N2-butyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[4-(trifluoromethyl)benzyl]purin-2-yl]-butyl-amine Formula: C17H18BrF3N6 MolecularWeight: 443.26423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)C(F)(F)F)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)C(F)(F)F)Br

InChI

InChI=1S/C17H18BrF3N6/c1-2-3-8-23-16-25-13(22)12-14(26-16)27(15(18)24-12)9-10-4-6-11(7-5-10)17(19,20)21/h4-7H,2-3,8-9H2,1H3,(H3,22,23,25,26)