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

Systemtic Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C17H16N4O5 MolecularWeight: 356.33274

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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)OCCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H16N4O5/c1-19-15-14(16(23)20(2)17(19)24)21(9-18-15)8-11(22)10-3-4-12-13(7-10)26-6-5-25-12/h3-4,7,9H,5-6,8H2,1-2H3