CAS 1306738-68-0

Ethyl 7-methyl-2-[[(4-methylphenyl)methyl]thio][1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Description:

Ethyl 7-methyl-2-[[(4-methylphenyl)methyl]thio][1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is a chemical compound characterized by its complex structure, which includes a triazole ring fused to a pyrimidine system. This compound features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of a methylthio group and a 4-methylphenyl substituent indicates potential for various interactions, including hydrophobic and π-π stacking interactions, which may influence its biological activity. The triazole and pyrimidine moieties are often associated with pharmacological properties, making this compound of interest in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in targeting specific biological pathways. The compound's CAS number, 1306738-68-0, allows for precise identification in chemical databases, facilitating research and development efforts. Overall, this compound exemplifies the intricate design often found in bioactive molecules, highlighting the interplay between structure and function in chemical and pharmaceutical contexts.

Formula: C₁₇H₁₈N₄O₂S

InChI: InChI=1S/C17H18N4O2S/c1-4-23-15(22)14-9-18-16-19-17(20-21(16)12(14)3)24-10-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3

InChI key: InChIKey=GJWCEHXPVBWFIG-UHFFFAOYSA-N

SMILES: CC=1N2C(=NC(SCC3=CC=C(C)C=C3)=N2)N=CC1C(OCC)=O

Synonyms:

• Ethyl 7-methyl-2-[[(4-methylphenyl)methyl]thio][1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-methyl-2-[[(4-methylphenyl)methyl]thio]-, ethyl ester