8-(4-chloranyl-2-cyclohexyl-phenoxy)-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-chloranyl-2-cyclohexyl-phenoxy)-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-2-cyclohexyl-phenoxy)-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-2-cyclohexylphenoxy)-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-2-cyclohexylphenoxy)-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-chloro-2-cyclohexyl-phenoxy)-7-ethyl-1,3-dimethyl-xanthine Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1OC3=C(C=C(C=C3)Cl)C4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1OC3=C(C=C(C=C3)Cl)C4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H25ClN4O3/c1-4-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-16-11-10-14(22)12-15(16)13-8-6-5-7-9-13/h10-13H,4-9H2,1-3H3