CAS 731795-75-8

2-(Chloromethyl)-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile

Description:

2-(Chloromethyl)-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile, with the CAS number 731795-75-8, is a heterocyclic compound characterized by its complex structure that includes a benzothieno-pyrimidine framework. This compound features a chloromethyl group, which enhances its reactivity and potential for further chemical modifications. The presence of a cyano group (acetonitrile) contributes to its polar nature, influencing its solubility and interaction with other molecules. The tetrahydro configuration indicates that the compound contains a saturated ring system, which may affect its biological activity and stability. Such compounds often exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. The unique combination of functional groups and structural features suggests potential applications in drug development, particularly in targeting specific biological pathways. However, detailed studies on its toxicity, stability, and biological activity would be necessary to fully understand its potential uses and safety profile.

Formula: C₁₃H₁₂ClN₃OS

InChI: InChI=1S/C13H12ClN3OS/c14-7-10-16-12-11(13(18)17(10)6-5-15)8-3-1-2-4-9(8)19-12/h1-4,6-7H2

InChI key: InChIKey=WLEJEKHXZLCEPE-UHFFFAOYSA-N

SMILES: O=C1C=2C3=C(SC2N=C(CCl)N1CC#N)CCCC3

Synonyms:

• 2-(Chloromethyl)-5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile
• [1]Benzothieno[2,3-d]pyrimidine-3(4H)-acetonitrile, 2-(chloromethyl)-5,6,7,8-tetrahydro-4-oxo-