N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]purin-7-amine

Systemtic Name: N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]purin-7-amine Openeye Name: N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]purin-7-amine CAS Name: N-[[2-(trifluoromethylthio)phenyl]methyl]-7-purinamine IUPAC Name: N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]purin-7-amine Traditional Name: purin-7-yl-[2-(trifluoromethylthio)benzyl]amine Formula: C13H10F3N5S MolecularWeight: 325.31221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNN2C=NC3=NC=NC=C32)SC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CNN2C=NC3=NC=NC=C32)SC(F)(F)F

InChI

InChI=1S/C13H10F3N5S/c14-13(15,16)22-11-4-2-1-3-9(11)5-20-21-8-19-12-10(21)6-17-7-18-12/h1-4,6-8,20H,5H2