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

Systemtic Name: 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-1-(4-methoxyphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)-2-thioxo-pyrimidin-4-one CAS Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)-1-(4-methoxyphenyl)-2-thioxo-pyrimidin-4-one Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)O

InChI

InChI=1S/C21H18N2O7S/c1-27-11-6-4-10(5-7-11)23-19(25)15(18(24)22-21(23)31)16-12-8-9-13(28-2)17(29-3)14(12)20(26)30-16/h4-9,16,25H,1-3H3,(H,22,24,31)