4-methyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-6-thiophen-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-6-thiophen-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-(1-carboxypropylsulfanyl)-4-methyl-6-(2-thienyl)pyrimidine-5-carboxylic acid CAS Name: 2-[(1-hydroxy-1-oxobutan-2-yl)thio]-4-methyl-6-thiophen-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxobutan-2-yl)sulfanyl-4-methyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-(1-carboxypropylthio)-4-methyl-6-(2-thienyl)pyrimidine-5-carboxylic acid Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=C(C(=N1)C)C(=O)O)C2=CC=CS2

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=C(C(=N1)C)C(=O)O)C2=CC=CS2

InChI

InChI=1S/C14H14N2O4S2/c1-3-8(12(17)18)22-14-15-7(2)10(13(19)20)11(16-14)9-5-4-6-21-9/h4-6,8H,3H2,1-2H3,(H,17,18)(H,19,20)