8-(4-chloranyl-2-cyclohexyl-phenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-chloranyl-2-cyclohexyl-phenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-2-cyclohexyl-phenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-chloro-2-cyclohexyl-phenoxy)-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C26H26ClFN4O3 MolecularWeight: 496.961043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C(C=C(C=C3)Cl)C4CCCCC4)CC5=CC=CC=C5F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C(C=C(C=C3)Cl)C4CCCCC4)CC5=CC=CC=C5F

InChI

InChI=1S/C26H26ClFN4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-17-10-6-7-11-20(17)28)25(29-23)35-21-13-12-18(27)14-19(21)16-8-4-3-5-9-16/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3