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

Systemtic Name: 8-(4-chloranyl-2-cyclohexyl-phenoxy)-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-2-cyclohexyl-phenoxy)-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(3-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(3-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-chlorobenzyl)-8-(4-chloro-2-cyclohexyl-phenoxy)-1,3-dimethyl-xanthine Formula: C26H26Cl2N4O3 MolecularWeight: 513.41564

Click to see the large picture

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=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H26Cl2N4O3/c1-30-23-22(24(33)31(2)26(30)34)32(15-16-7-6-10-18(27)13-16)25(29-23)35-21-12-11-19(28)14-20(21)17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3