5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-6-oxidanyl-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-6-oxidanyl-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-allyl-5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-allyl-6-hydroxy-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)-2-thioxo-pyrimidin-4-one Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=S)NC3=O)CC=C)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=S)NC3=O)CC=C)O)OC

InChI

InChI=1S/C17H16N2O6S/c1-4-7-19-15(21)11(14(20)18-17(19)26)12-8-5-6-9(23-2)13(24-3)10(8)16(22)25-12/h4-6,12,21H,1,7H2,2-3H3,(H,18,20,26)