5-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]-2-thenoic acid Formula: C10H8N2O3S2 MolecularWeight: 268.31212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(NC1=O)SCC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1=CN=C(NC1=O)SCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C10H8N2O3S2/c13-8-3-4-11-10(12-8)16-5-6-1-2-7(17-6)9(14)15/h1-4H,5H2,(H,14,15)(H,11,12,13)