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CAS 728908-04-1

:

2-(Chloromethyl)-5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Description:
2-(Chloromethyl)-5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, with the CAS number 728908-04-1, is a heterocyclic compound characterized by its complex bicyclic structure that incorporates both a benzothieno and pyrimidinone moiety. This compound features a chloromethyl group, which enhances its reactivity and potential for further chemical modifications. The presence of the tetrahydro and methyl groups contributes to its unique physical and chemical properties, including solubility and stability. Typically, such compounds may exhibit biological activity, making them of interest in medicinal chemistry and drug development. The specific arrangement of atoms and functional groups can influence its pharmacokinetic and pharmacodynamic profiles, potentially leading to applications in therapeutic contexts. As with many heterocycles, the compound's properties can be influenced by factors such as pH, solvent, and temperature, which are crucial for understanding its behavior in various chemical environments.
Formula:C12H13ClN2OS
InChI:InChI=1S/C12H13ClN2OS/c1-6-2-3-7-8(4-6)17-12-10(7)11(16)14-9(5-13)15-12/h6H,2-5H2,1H3,(H,14,15,16)
InChI key:InChIKey=JGLLKEGGYWYAEE-UHFFFAOYSA-N
SMILES:O=C1C=2C3=C(SC2NC(CCl)=N1)CC(C)CC3
Synonyms:
  • 2-(Chloromethyl)-5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
  • [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 2-(chloromethyl)-5,6,7,8-tetrahydro-7-methyl-
  • 2-(Chloromethyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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