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

Systemtic Name: 7-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-cyclohexylphenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)12-17(26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3