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

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-oxo-3-sec-butyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(3-butan-2-yl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(3-butan-2-yl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-keto-3-sec-butyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetic acid Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S2/c1-3-7(2)14-11(17)10-8(4-5-18-10)13-12(14)19-6-9(15)16/h4-5,7H,3,6H2,1-2H3,(H,15,16)