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

Systemtic Name: 1-butan-2-yl-5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-1-sec-butyl-2-thioxo-pyrimidin-4-one CAS Name: 1-butan-2-yl-5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-butan-2-yl-5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)-1-sec-butyl-2-thioxo-pyrimidin-4-one Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2)O

Isomeric SMILES

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2)O

InChI

InChI=1S/C18H20N2O6S/c1-5-8(2)20-16(22)12(15(21)19-18(20)27)13-9-6-7-10(24-3)14(25-4)11(9)17(23)26-13/h6-8,13,22H,5H2,1-4H3,(H,19,21,27)