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

Systemtic Name: 1-(4-fluorophenyl)-9-methyl-2-[[4-(trifluoromethyl)cyclohexyl]methyl]purin-6-one Openeye Name: 1-(4-fluorophenyl)-9-methyl-2-[[4-(trifluoromethyl)cyclohexyl]methyl]purin-6-one CAS Name: 1-(4-fluorophenyl)-9-methyl-2-[[4-(trifluoromethyl)cyclohexyl]methyl]-6-purinone IUPAC Name: 1-(4-fluorophenyl)-9-methyl-2-[[4-(trifluoromethyl)cyclohexyl]methyl]purin-6-one Traditional Name: 1-(4-fluorophenyl)-9-methyl-2-[[4-(trifluoromethyl)cyclohexyl]methyl]purin-6-one Formula: C20H20F4N4O MolecularWeight: 408.392613

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)F)CC4CCC(CC4)C(F)(F)F

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)F)CC4CCC(CC4)C(F)(F)F

InChI

InChI=1S/C20H20F4N4O/c1-27-11-25-17-18(27)26-16(10-12-2-4-13(5-3-12)20(22,23)24)28(19(17)29)15-8-6-14(21)7-9-15/h6-9,11-13H,2-5,10H2,1H3