CAS 852218-16-7

2-(Chloromethyl)-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one

Description:

2-(Chloromethyl)-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one is a heterocyclic organic compound characterized by its complex structure, which includes a thieno[2,3-d]pyrimidine core. This compound features a chloromethyl group and a phenyl substituent, contributing to its reactivity and potential applications in medicinal chemistry. The presence of the chloromethyl group suggests that it may participate in nucleophilic substitution reactions, making it a useful intermediate in organic synthesis. The thieno[2,3-d]pyrimidine framework is known for its biological activity, often exhibiting properties such as antimicrobial, antiviral, or anticancer effects. The compound's solubility, stability, and reactivity can be influenced by the functional groups attached to the core structure. Additionally, its molecular interactions may be studied for potential drug development, particularly in targeting specific biological pathways. Overall, this compound represents a significant interest in the field of pharmaceutical chemistry due to its unique structural features and potential therapeutic applications.

Formula: C₁₃H₉ClN₂OS

InChI: InChI=1S/C13H9ClN2OS/c14-7-11-15-12(17)9-6-10(18-13(9)16-11)8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16,17)

InChI key: InChIKey=XIZLGTMVTXLUGC-UHFFFAOYSA-N

SMILES: O=C1C2=C(SC(=C2)C3=CC=CC=C3)NC(CCl)=N1

Synonyms:

• Thieno[2,3-d]pyrimidin-4(1H)-one, 2-(chloromethyl)-6-phenyl-
• 2-(Chloromethyl)-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
• 2-(Chloromethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
• 2-(Chloromethyl)-6-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one