CAS 744227-08-5

7-(1,1-Dimethylethyl)-3-(2,6-dimethylphenyl)-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Description:

The chemical substance known as 7-(1,1-Dimethylethyl)-3-(2,6-dimethylphenyl)-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, with the CAS number 744227-08-5, is a complex organic compound characterized by its unique structural features. It contains a benzothieno-pyrimidinone core, which is a fused bicyclic system that incorporates both thieno and pyrimidinone functionalities. The presence of bulky substituents, such as the tert-butyl group and the dimethylphenyl moiety, contributes to its steric properties and may influence its biological activity. The thioxo group indicates the presence of a sulfur atom double-bonded to a carbon, which can affect the compound's reactivity and potential interactions with biological targets. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. However, specific details regarding its solubility, stability, and reactivity would require further investigation through experimental studies.

Formula: C₂₂H₂₆N₂OS₂

InChI: InChI=1S/C22H26N2OS2/c1-12-7-6-8-13(2)18(12)24-20(25)17-15-10-9-14(22(3,4)5)11-16(15)27-19(17)23-21(24)26/h6-8,14H,9-11H2,1-5H3,(H,23,26)

InChI key: InChIKey=VWOHHTQKLNDZRN-UHFFFAOYSA-N

SMILES: O=C1C=2C3=C(SC2NC(=S)N1C4=C(C)C=CC=C4C)CC(C(C)(C)C)CC3

Synonyms:

• [1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-(1,1-dimethylethyl)-3-(2,6-dimethylphenyl)-2,3,5,6,7,8-hexahydro-2-thioxo-
• 7-(1,1-Dimethylethyl)-3-(2,6-dimethylphenyl)-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one