6-[4-oxidanylidene-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-3-yl]hexanoate

Systemtic Name: 6-[4-oxidanylidene-2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-3-yl]hexanoate Openeye Name: 6-[2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]hexanoate CAS Name: 6-[2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]hexanoate IUPAC Name: 6-[2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]hexanoate Traditional Name: 6-[2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]hexanoate Formula: C22H19N2O6S2- MolecularWeight: 471.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C=C2CSC3=NC4=C(C(=O)N3CCCCCC(=O)[O-])SC=C4

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2CSC3=NC4=C(C(=O)N3CCCCCC(=O)[O-])SC=C4

InChI

InChI=1S/C22H20N2O6S2/c25-14-5-6-15-13(10-19(28)30-17(15)11-14)12-32-22-23-16-7-9-31-20(16)21(29)24(22)8-3-1-2-4-18(26)27/h5-7,9-11,25H,1-4,8,12H2,(H,26,27)/p-1