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

Systemtic Name: 2-[3-(2-methylbutan-2-yl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(1,1-dimethylpropyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(2-methylbutan-2-yl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(2-methylbutan-2-yl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[(3-tert-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:

CCC(C)(C)N1C(=O)C2=C(N=C1SCC(=O)O)SC=C2

Isomeric SMILES

CCC(C)(C)N1C(=O)C2=C(N=C1SCC(=O)O)SC=C2

InChI

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