6-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanoic acid

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanoic acid Openeye Name: 6-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)hexanoic acid CAS Name: 6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanoic acid IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanoic acid Traditional Name: 6-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)hexanoic acid Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC2=C1NC(=S)N(C2=O)CCCCCC(=O)O

Isomeric SMILES

C1=CSC2=C1NC(=S)N(C2=O)CCCCCC(=O)O

InChI

InChI=1S/C12H14N2O3S2/c15-9(16)4-2-1-3-6-14-11(17)10-8(5-7-19-10)13-12(14)18/h5,7H,1-4,6H2,(H,13,18)(H,15,16)