N-methyl-9-(3-methylsulfanylphenyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-methyl-9-(3-methylsulfanylphenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-methyl-9-(3-methylsulfanylphenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-methyl-9-[3-(methylthio)phenyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-methyl-9-(3-methylsulfanylphenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: methyl-[9-[3-(methylthio)phenyl]-2-(trifluoromethyl)purin-6-yl]amine Formula: C14H12F3N5S MolecularWeight: 339.33879

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)SC)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=CC(=CC=C3)SC)C(F)(F)F

InChI

InChI=1S/C14H12F3N5S/c1-18-11-10-12(21-13(20-11)14(15,16)17)22(7-19-10)8-4-3-5-9(6-8)23-2/h3-7H,1-2H3,(H,18,20,21)