N-[2-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]methanesulfonamide

Systemtic Name: N-[2-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]methanesulfonamide Openeye Name: N-[2-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]methanesulfonamide CAS Name: N-[2-[6-(methylamino)-2-(trifluoromethyl)-9-purinyl]phenyl]methanesulfonamide IUPAC Name: N-[2-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]methanesulfonamide Traditional Name: N-[2-[6-(methylamino)-2-(trifluoromethyl)purin-9-yl]phenyl]methanesulfonamide Formula: C14H13F3N6O2S MolecularWeight: 386.35223

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3=CC=CC=C3NS(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3=CC=CC=C3NS(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C14H13F3N6O2S/c1-18-11-10-12(21-13(20-11)14(15,16)17)23(7-19-10)9-6-4-3-5-8(9)22-26(2,24)25/h3-7,22H,1-2H3,(H,18,20,21)