CAS 742118-89-4

6-Ethyl 2-[[(carboxymethyl)sulfonyl]methyl]-1,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

Description:

6-Ethyl 2-[[(carboxymethyl)sulfonyl]methyl]-1,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate, with the CAS number 742118-89-4, is a synthetic organic compound characterized by its complex structure, which includes a thieno[2,3-d]pyrimidine core. This compound features multiple functional groups, including a carboxylate and a sulfonyl moiety, which contribute to its potential reactivity and solubility properties. The presence of the ethyl and methyl groups suggests that it may exhibit hydrophobic characteristics, while the carboxymethyl and sulfonyl groups enhance its polarity. Such structural features may influence its biological activity, making it a candidate for pharmaceutical applications. The compound's synthesis and characterization would typically involve standard organic chemistry techniques, including NMR, mass spectrometry, and possibly X-ray crystallography for structural confirmation. Its specific applications and biological properties would depend on ongoing research and development in medicinal chemistry.

Formula: C₁₃H₁₄N₂O₇S₂

InChI: InChI=1S/C13H14N2O7S2/c1-3-22-13(19)10-6(2)9-11(18)14-7(15-12(9)23-10)4-24(20,21)5-8(16)17/h3-5H2,1-2H3,(H,16,17)(H,14,15,18)

InChI key: InChIKey=CBRVVMSHCCIUTQ-UHFFFAOYSA-N

SMILES: CC=1C2=C(SC1C(OCC)=O)NC(CS(CC(O)=O)(=O)=O)=NC2=O

Synonyms:

• Thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[[(carboxymethyl)sulfonyl]methyl]-1,4-dihydro-5-methyl-4-oxo-, 6-ethyl ester
• 6-Ethyl 2-[[(carboxymethyl)sulfonyl]methyl]-1,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate