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

Systemtic Name: 1-(4-chlorophenyl)-9-ethyl-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one Openeye Name: 1-(4-chlorophenyl)-9-ethyl-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one CAS Name: 1-(4-chlorophenyl)-9-ethyl-2-[4-(trifluoromethyl)cyclohexyl]-6-purinone IUPAC Name: 1-(4-chlorophenyl)-9-ethyl-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one Traditional Name: 1-(4-chlorophenyl)-9-ethyl-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one Formula: C20H20ClF3N4O MolecularWeight: 424.84721

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)C4CCC(CC4)C(F)(F)F

Isomeric SMILES

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)C4CCC(CC4)C(F)(F)F

InChI

InChI=1S/C20H20ClF3N4O/c1-2-27-11-25-16-18(27)26-17(12-3-5-13(6-4-12)20(22,23)24)28(19(16)29)15-9-7-14(21)8-10-15/h7-13H,2-6H2,1H3