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

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

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

InChI

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