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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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