2-[3-(1-methylpyrazol-4-yl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(1-methylpyrazol-4-yl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(1-methylpyrazol-4-yl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(1-methyl-4-pyrazolyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(1-methylpyrazol-4-yl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-keto-3-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid Formula: C12H10N4O3S2 MolecularWeight: 322.3628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)N2C(=O)C3=C(N=C2SCC(=O)O)SC=C3

Isomeric SMILES

CN1C=C(C=N1)N2C(=O)C3=C(N=C2SCC(=O)O)SC=C3

InChI

InChI=1S/C12H10N4O3S2/c1-15-5-7(4-13-15)16-11(19)8-2-3-20-10(8)14-12(16)21-6-9(17)18/h2-5H,6H2,1H3,(H,17,18)