N-methyl-9-(2-methylsulfinylphenyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-methyl-9-(2-methylsulfinylphenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-methyl-9-(2-methylsulfinylphenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-methyl-9-(2-methylsulfinylphenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-methyl-9-(2-methylsulfinylphenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: methyl-[9-(2-methylsulfinylphenyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C14H12F3N5OS MolecularWeight: 355.33819

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=CC=CC=C3S(=O)C)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=CC=CC=C3S(=O)C)C(F)(F)F

InChI

InChI=1S/C14H12F3N5OS/c1-18-11-10-12(21-13(20-11)14(15,16)17)22(7-19-10)8-5-3-4-6-9(8)24(2)23/h3-7H,1-2H3,(H,18,20,21)