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

Systemtic Name: 8-(4-chloranyl-2-cyclohexyl-phenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-2-cyclohexyl-phenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-2-cyclohexylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-chloro-2-cyclohexyl-phenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-xanthine Formula: C30H35ClN4O5 MolecularWeight: 567.0757

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C3=C(N=C2OC4=C(C=C(C=C4)Cl)C5CCCCC5)N(C(=O)N(C3=O)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C3=C(N=C2OC4=C(C=C(C=C4)Cl)C5CCCCC5)N(C(=O)N(C3=O)C)C)OCC

InChI

InChI=1S/C30H35ClN4O5/c1-5-38-24-14-12-19(16-25(24)39-6-2)18-35-26-27(33(3)30(37)34(4)28(26)36)32-29(35)40-23-15-13-21(31)17-22(23)20-10-8-7-9-11-20/h12-17,20H,5-11,18H2,1-4H3