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

Systemtic Name: 9-cyclopropyl-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one Openeye Name: 9-cyclopropyl-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one CAS Name: 9-cyclopropyl-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]-6-purinone IUPAC Name: 9-cyclopropyl-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one Traditional Name: 9-cyclopropyl-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one Formula: C21H20F4N4O MolecularWeight: 420.403313

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)N=CN3C5CC5)C(F)(F)F

Isomeric SMILES

C1CC(CCC1C2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)N=CN3C5CC5)C(F)(F)F

InChI

InChI=1S/C21H20F4N4O/c22-14-5-7-16(8-6-14)29-18(12-1-3-13(4-2-12)21(23,24)25)27-19-17(20(29)30)26-11-28(19)15-9-10-15/h5-8,11-13,15H,1-4,9-10H2