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

Systemtic Name: 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-6-oxidanyl-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)pyrimidin-4-one Openeye Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(3,4,5-trimethoxyphenyl)pyrimidin-4-one CAS Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-4-pyrimidinone IUPAC Name: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)pyrimidin-4-one Traditional Name: 6-hydroxy-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)-2-thioxo-1-(3,4,5-trimethoxyphenyl)pyrimidin-4-one Formula: C23H22N2O9S MolecularWeight: 502.49378

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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)C4=CC(=C(C(=C4)OC)OC)OC)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=S)NC3=O)C4=CC(=C(C(=C4)OC)OC)OC)O)OC

InChI

InChI=1S/C23H22N2O9S/c1-29-12-7-6-11-15(19(12)33-5)22(28)34-17(11)16-20(26)24-23(35)25(21(16)27)10-8-13(30-2)18(32-4)14(9-10)31-3/h6-9,17,27H,1-5H3,(H,24,26,35)