N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-methyl-9-(2-methylsulfonyl-4-pyrimidinyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(2-mesylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-yl]-methyl-amine Formula: C12H10F3N7O2S MolecularWeight: 373.31371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=NC(=NC=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=NC(=NC=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C12H10F3N7O2S/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)25(2,23)24/h3-5H,1-2H3,(H,16,20,21)