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

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-(4-chloranyl-2-cyclohexyl-phenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-(4-chloro-2-cyclohexyl-phenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-(4-chloro-2-cyclohexylphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-(4-chloro-2-cyclohexyl-phenoxy)-1,3-dimethyl-xanthine Formula: C26H26BrClN4O3 MolecularWeight: 557.86664

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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=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=C(C=C(C=C3)Cl)C4CCCCC4)CC5=CC=C(C=C5)Br

InChI

InChI=1S/C26H26BrClN4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-16-8-10-18(27)11-9-16)25(29-23)35-21-13-12-19(28)14-20(21)17-6-4-3-5-7-17/h8-14,17H,3-7,15H2,1-2H3