CAS 1114822-79-5

1-(Chloromethyl)-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

Description:

1-(Chloromethyl)-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is a heterocyclic compound characterized by its complex structure, which includes a thieno ring fused with a triazole and pyrimidinone moiety. This compound features a chloromethyl group, which enhances its reactivity and potential for further chemical modifications. The presence of the methyl group at the 4-position of the thieno ring contributes to its lipophilicity, potentially influencing its biological activity and solubility. The compound's unique arrangement of nitrogen and sulfur atoms within its rings may impart specific electronic properties, making it of interest in medicinal chemistry, particularly for its potential pharmacological applications. Additionally, the presence of multiple functional groups suggests that it may engage in various chemical reactions, including nucleophilic substitutions and coupling reactions. Overall, this compound exemplifies the complexity and diversity of heterocyclic chemistry, with implications for drug design and development.

Formula: C₉H₇ClN₄OS

InChI: InChI=1S/C9H7ClN4OS/c1-13-8(15)7-5(2-3-16-7)14-6(4-10)11-12-9(13)14/h2-3H,4H2,1H3

InChI key: InChIKey=ZEGCMFALRZMWBD-UHFFFAOYSA-N

SMILES: C(Cl)C=1N2C3=C(C(=O)N(C)C2=NN1)SC=C3

Synonyms:

• 1-(Chloromethyl)-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
• Thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-(chloromethyl)-4-methyl-