2-[3-(oxan-4-yl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(oxan-4-yl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-(4-oxo-3-tetrahydropyran-4-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[[3-(4-oxanyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(oxan-4-yl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[(4-keto-3-tetrahydropyran-4-yl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C(=O)C3=C(N=C2SCC(=O)O)SC=C3

Isomeric SMILES

C1COCCC1N2C(=O)C3=C(N=C2SCC(=O)O)SC=C3

InChI

InChI=1S/C13H14N2O4S2/c16-10(17)7-21-13-14-11-9(3-6-20-11)12(18)15(13)8-1-4-19-5-2-8/h3,6,8H,1-2,4-5,7H2,(H,16,17)