1-(4-fluorophenyl)-9-methyl-2-[3-(trifluoromethyl)phenoxy]purin-6-one

Systemtic Name: 1-(4-fluorophenyl)-9-methyl-2-[3-(trifluoromethyl)phenoxy]purin-6-one Openeye Name: 1-(4-fluorophenyl)-9-methyl-2-[3-(trifluoromethyl)phenoxy]purin-6-one CAS Name: 1-(4-fluorophenyl)-9-methyl-2-[3-(trifluoromethyl)phenoxy]-6-purinone IUPAC Name: 1-(4-fluorophenyl)-9-methyl-2-[3-(trifluoromethyl)phenoxy]purin-6-one Traditional Name: 1-(4-fluorophenyl)-9-methyl-2-[3-(trifluoromethyl)phenoxy]purin-6-one Formula: C19H12F4N4O2 MolecularWeight: 404.317793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)F)OC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)F)OC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H12F4N4O2/c1-26-10-24-15-16(26)25-18(27(17(15)28)13-7-5-12(20)6-8-13)29-14-4-2-3-11(9-14)19(21,22)23/h2-10H,1H3