N,N-dimethyl-9-[(4-methylsulfanylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N,N-dimethyl-9-[(4-methylsulfanylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Openeye Name: N,N-dimethyl-9-[(4-methylsulfanylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine CAS Name: N,N-dimethyl-9-[[4-(methylthio)phenyl]methyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N,N-dimethyl-9-[(4-methylsulfanylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Traditional Name: dimethyl-[9-[4-(methylthio)benzyl]-2-(trifluoromethyl)purin-6-yl]amine Formula: C16H16F3N5S MolecularWeight: 367.39195

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C16H16F3N5S/c1-23(2)13-12-14(22-15(21-13)16(17,18)19)24(9-20-12)8-10-4-6-11(25-3)7-5-10/h4-7,9H,8H2,1-3H3