7-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H14N4O5/c1-18-14-13(15(22)19(2)16(18)23)20(7-17-14)6-10(21)9-3-4-11-12(5-9)25-8-24-11/h3-5,7H,6,8H2,1-2H3