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

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

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)O

InChI

InChI=1S/C13H16N2O3S2/c1-8(2)3-5-15-12(18)11-9(4-6-19-11)14-13(15)20-7-10(16)17/h4,6,8H,3,5,7H2,1-2H3,(H,16,17)