7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-cyclohexyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-cyclohexyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-cyclohexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-cyclohexyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-cyclohexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-cyclohexyl-1,3-dimethyl-xanthine Formula: C20H22ClFN4O2 MolecularWeight: 404.865683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CCCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CCCCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H22ClFN4O2/c1-24-18-16(19(27)25(2)20(24)28)26(11-13-14(21)9-6-10-15(13)22)17(23-18)12-7-4-3-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3