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

Systemtic Name: 2-butylsulfanyl-9-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-[2-fluoro-6-(trifluoromethyl)benzyl]purin-6-yl]amine Formula: C17H17F4N5S MolecularWeight: 399.408993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC=C3F)C(F)(F)F

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC=C3F)C(F)(F)F

InChI

InChI=1S/C17H17F4N5S/c1-2-3-7-27-16-24-14(22)13-15(25-16)26(9-23-13)8-10-11(17(19,20)21)5-4-6-12(10)18/h4-6,9H,2-3,7-8H2,1H3,(H2,22,24,25)