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

Systemtic Name: 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-1-ethyl-2-hexylsulfanyl-6-oxidanyl-pyrimidin-4-one Openeye Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-1-ethyl-2-hexylsulfanyl-6-hydroxy-pyrimidin-4-one CAS Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-1-ethyl-2-(hexylthio)-6-hydroxy-4-pyrimidinone IUPAC Name: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-1-ethyl-2-hexylsulfanyl-6-hydroxypyrimidin-4-one Traditional Name: 1-ethyl-2-(hexylthio)-6-hydroxy-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)pyrimidin-4-one Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=O)C(=C(N1CC)O)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

CCCCCCSC1=NC(=O)C(=C(N1CC)O)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C22H28N2O6S/c1-5-7-8-9-12-31-22-23-19(25)16(20(26)24(22)6-2)17-13-10-11-14(28-3)18(29-4)15(13)21(27)30-17/h10-11,17,26H,5-9,12H2,1-4H3