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

Systemtic Name: 8-chloranyl-7-(2-cyclohexyl-2-oxidanylidene-ethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(2-cyclohexyl-2-oxo-ethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-(2-cyclohexyl-2-oxoethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(2-cyclohexyl-2-oxoethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-cyclohexyl-2-keto-ethyl)-1,3-dimethyl-xanthine Formula: C15H19ClN4O3 MolecularWeight: 338.78936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3CCCCC3

InChI

InChI=1S/C15H19ClN4O3/c1-18-12-11(13(22)19(2)15(18)23)20(14(16)17-12)8-10(21)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3