7-ethyl-1,3-dimethyl-8-[4-(phenylcarbonyl)phenoxy]purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[4-(phenylcarbonyl)phenoxy]purine-2,6-dione Openeye Name: 8-(4-benzoylphenoxy)-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-benzoylphenoxy)-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-benzoylphenoxy)-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-benzoylphenoxy)-7-ethyl-1,3-dimethyl-xanthine Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H20N4O4/c1-4-26-17-19(24(2)22(29)25(3)20(17)28)23-21(26)30-16-12-10-15(11-13-16)18(27)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3