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

Systemtic Name: 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-2-hexylsulfanyl-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-2-hexylsulfanyl-6-hydroxy-1-phenyl-pyrimidin-4-one CAS Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-2-(hexylthio)-6-hydroxy-1-phenyl-4-pyrimidinone IUPAC Name: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-2-hexylsulfanyl-6-hydroxy-1-phenylpyrimidin-4-one Traditional Name: 2-(hexylthio)-6-hydroxy-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)-1-phenyl-pyrimidin-4-one Formula: C26H28N2O6S MolecularWeight: 496.57532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

Isomeric SMILES

CCCCCCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3

InChI

InChI=1S/C26H28N2O6S/c1-4-5-6-10-15-35-26-27-23(29)20(24(30)28(26)16-11-8-7-9-12-16)21-17-13-14-18(32-2)22(33-3)19(17)25(31)34-21/h7-9,11-14,21,30H,4-6,10,15H2,1-3H3