9-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 9-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 9-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 9-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 9-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 9-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C16H16N4O5/c1-19-15-13(14(22)18-16(19)23)17-8-20(15)7-10(21)9-4-5-11(24-2)12(6-9)25-3/h4-6,8H,7H2,1-3H3,(H,18,22,23)