9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-1-methyl-3H-purine-2,6-dione

Systemtic Name: 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-1-methyl-3H-purine-2,6-dione Openeye Name: 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-1-methyl-3H-purine-2,6-dione CAS Name: 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1-methyl-3H-purine-2,6-dione IUPAC Name: 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1-methyl-3H-purine-2,6-dione Traditional Name: 9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-1-methyl-xanthine Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C16H14N4O5/c1-19-15(22)13-14(18-16(19)23)20(8-17-13)7-10(21)9-2-3-11-12(6-9)25-5-4-24-11/h2-3,6,8H,4-5,7H2,1H3,(H,18,23)