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

Systemtic Name: 2-(4-oxidanylidene-3-pentyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-oxo-3-pentyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-oxo-3-pentyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-oxo-3-pentylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-amyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C1SCC(=O)O)SC=C2

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C1SCC(=O)O)SC=C2

InChI

InChI=1S/C13H16N2O3S2/c1-2-3-4-6-15-12(18)9-5-7-19-11(9)14-13(15)20-8-10(16)17/h5,7H,2-4,6,8H2,1H3,(H,16,17)