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

Systemtic Name: 2-(4-oxidanylidene-3-pentan-3-yl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-[3-(1-ethylpropyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[(4-oxo-3-pentan-3-yl-2-thieno[3,2-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-oxo-3-pentan-3-ylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[[3-(1-ethylpropyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]acetic acid Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

Isomeric SMILES

CCC(CC)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

InChI

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