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

Systemtic Name: 7-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(2,3-dihydrobenzofuran-5-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(2,3-dihydrobenzofuran-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-coumaran-5-yl-2-keto-ethyl)-1,3-dimethyl-xanthine Formula: C17H16N4O4 MolecularWeight: 340.33334

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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)OCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C17H16N4O4/c1-19-15-14(16(23)20(2)17(19)24)21(9-18-15)8-12(22)10-3-4-13-11(7-10)5-6-25-13/h3-4,7,9H,5-6,8H2,1-2H3