CAS 885459-29-0

Ethyl 4-chloro-2-[[(4-chlorophenyl)thio]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Description:

Ethyl 4-chloro-2-[[(4-chlorophenyl)thio]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate 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 an ethyl ester, a chloro substituent, and a thioether linkage, contributing to its potential biological activity. The presence of the thieno and pyrimidine rings suggests that it may exhibit properties relevant to medicinal chemistry, possibly acting as an inhibitor or modulator in biological systems. Its molecular structure indicates lipophilicity, which may influence its solubility and permeability in biological membranes. The compound's CAS number, 885459-29-0, allows for easy identification in chemical databases, facilitating research and development. Given its unique structural features, this compound may be of interest in the fields of pharmacology and agrochemicals, warranting further investigation into its potential applications and mechanisms of action.

Formula: C₁₇H₁₄Cl₂N₂O₂S₂

InChI: InChI=1S/C17H14Cl2N2O2S2/c1-3-23-17(22)14-9(2)13-15(19)20-12(21-16(13)25-14)8-24-11-6-4-10(18)5-7-11/h4-7H,3,8H2,1-2H3

InChI key: InChIKey=QHSHJNYEINIWGG-UHFFFAOYSA-N

SMILES: CC=1C=2C(SC1C(OCC)=O)=NC(CSC3=CC=C(Cl)C=C3)=NC2Cl

Synonyms:

• Ethyl 4-chloro-2-[[(4-chlorophenyl)thio]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
• Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-2-[[(4-chlorophenyl)thio]methyl]-5-methyl-, ethyl ester