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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(4-cyclohexylphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(4-cyclohexylphenoxy)-1,3-dimethyl-xanthine Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O3/c1-29-23-22(24(32)30(2)26(29)33)31(16-17-8-12-20(27)13-9-17)25(28-23)34-21-14-10-19(11-15-21)18-6-4-3-5-7-18/h8-15,18H,3-7,16H2,1-2H3