8-chloranyl-7-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(4-cyclohexylphenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3/c1-24-18-17(19(28)25(2)21(24)29)26(20(22)23-18)12-16(27)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13H,3-7,12H2,1-2H3