2-butylsulfanyl-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine

Systemtic Name: 2-butylsulfanyl-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[[3-(trifluoromethyl)phenyl]methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-[3-(trifluoromethyl)benzyl]purin-6-yl]amine Formula: C17H18F3N5S MolecularWeight: 381.41853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N5S/c1-2-3-7-26-16-23-14(21)13-15(24-16)25(10-22-13)9-11-5-4-6-12(8-11)17(18,19)20/h4-6,8,10H,2-3,7,9H2,1H3,(H2,21,23,24)