9-ethyl-1-(4-fluorophenyl)-2-[[4-(trifluoromethyl)cyclohexyl]methyl]purin-6-one

Systemtic Name: 9-ethyl-1-(4-fluorophenyl)-2-[[4-(trifluoromethyl)cyclohexyl]methyl]purin-6-one Openeye Name: 9-ethyl-1-(4-fluorophenyl)-2-[[4-(trifluoromethyl)cyclohexyl]methyl]purin-6-one CAS Name: 9-ethyl-1-(4-fluorophenyl)-2-[[4-(trifluoromethyl)cyclohexyl]methyl]-6-purinone IUPAC Name: 9-ethyl-1-(4-fluorophenyl)-2-[[4-(trifluoromethyl)cyclohexyl]methyl]purin-6-one Traditional Name: 9-ethyl-1-(4-fluorophenyl)-2-[[4-(trifluoromethyl)cyclohexyl]methyl]purin-6-one Formula: C21H22F4N4O MolecularWeight: 422.419193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)F)CC4CCC(CC4)C(F)(F)F

Isomeric SMILES

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)F)CC4CCC(CC4)C(F)(F)F

InChI

InChI=1S/C21H22F4N4O/c1-2-28-12-26-18-19(28)27-17(11-13-3-5-14(6-4-13)21(23,24)25)29(20(18)30)16-9-7-15(22)8-10-16/h7-10,12-14H,2-6,11H2,1H3