9-(2-fluoranyl-3-methoxy-phenyl)-N-methyl-2-(trifluoromethyl)purin-6-amine

Systemtic Name: 9-(2-fluoranyl-3-methoxy-phenyl)-N-methyl-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-(2-fluoro-3-methoxy-phenyl)-N-methyl-2-(trifluoromethyl)purin-6-amine CAS Name: 9-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(2-fluoro-3-methoxy-phenyl)-2-(trifluoromethyl)purin-6-yl]-methyl-amine Formula: C14H11F4N5O MolecularWeight: 341.263653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F4N5O/c1-19-11-10-12(22-13(21-11)14(16,17)18)23(6-20-10)7-4-3-5-8(24-2)9(7)15/h3-6H,1-2H3,(H,19,21,22)