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CAS 109164-47-8

:

1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-propanoic acid

Description:
1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-propanoic acid, with the CAS number 109164-47-8, is a heterocyclic compound characterized by its complex bicyclic structure that incorporates both a benzothieno and a pyrimidine moiety. This compound features a hexahydro framework, indicating the presence of multiple saturated carbon atoms, and a ketone functional group (4-oxo) that contributes to its reactivity and potential biological activity. The propanoic acid group suggests that it possesses acidic properties, which may influence its solubility and interaction with biological systems. The unique arrangement of atoms within this molecule may confer specific pharmacological properties, making it of interest in medicinal chemistry. Its synthesis and characterization would typically involve techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography to confirm its structure and purity. Overall, this compound represents a fascinating example of the diversity found in organic chemistry, particularly in the realm of drug discovery and development.
Formula:C13H14N2O3S
InChI:InChI=1S/C13H14N2O3S/c16-10(17)6-5-9-14-12(18)11-7-3-1-2-4-8(7)19-13(11)15-9/h1-6H2,(H,16,17)(H,14,15,18)
InChI key:InChIKey=ZUYIZUTYDFCUMM-UHFFFAOYSA-N
SMILES:O=C1C=2C3=C(SC2NC(CCC(O)=O)=N1)CCCC3
Synonyms:
  • 1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-propanoic acid
  • 3-(4-Hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanoic acid
  • 3-(4-Oxo-3,4,5,6,7,8-Hexahydro[1]Benzothieno[2,3-D]Pyrimidin-2-Yl)Propanoic Acid
  • [1]Benzothieno[2,3-D]Pyrimidine-2-Propanoic Acid, 5,6,7,8-Tetrahydro-4-Hydroxy-
  • [1]Benzothieno[2,3-d]pyrimidine-2-propanoic acid, 1,4,5,6,7,8-hexahydro-4-oxo-
  • 3-(4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-propionic acid
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