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CAS 865758-96-9

:

2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile

Description:
2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile, with the CAS number 865758-96-9, is a chemical compound characterized by its complex structure, which includes a pyrimidine ring and a benzonitrile moiety. The presence of a chloro substituent and multiple carbonyl groups contributes to its reactivity and potential biological activity. This compound may exhibit properties typical of pyrimidine derivatives, such as antimicrobial or antitumor activities, although specific biological data would depend on empirical studies. Its molecular structure suggests it could participate in hydrogen bonding and other interactions due to the functional groups present. Additionally, the compound's solubility, stability, and reactivity would be influenced by its functional groups and overall molecular geometry. As with many synthetic organic compounds, safety data and handling precautions should be considered, particularly due to the presence of chlorine, which can impart toxicity. Further research would be necessary to fully elucidate its properties and potential applications in pharmaceuticals or other fields.
Formula:C13H10ClN3O2
InChI:InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3
InChI key:InChIKey=BVUJISIVAHYNLI-UHFFFAOYSA-N
SMILES:C(N1C(=O)N(C)C(=O)C=C1Cl)C2=C(C#N)C=CC=C2
Synonyms:
  • 2-((6-Chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)benzonitrile
  • 2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile
  • 2-[(6-Chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
  • Alogliptin-N1
  • Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-
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