CAS 56025-88-8

2-Chloro-1,7-dihydro-7-(phenylmethyl)-6H-purin-6-one

Description:

2-Chloro-1,7-dihydro-7-(phenylmethyl)-6H-purin-6-one, with the CAS number 56025-88-8, is a purine derivative characterized by its unique structural features, including a chloro substituent and a phenylmethyl group. This compound typically exhibits a solid state at room temperature and is soluble in organic solvents, reflecting its non-polar characteristics due to the presence of the phenyl group. The purine core contributes to its potential biological activity, as purines are fundamental components of nucleic acids and play crucial roles in cellular processes. The chlorine atom introduces additional reactivity, which may influence its interactions in chemical reactions or biological systems. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting purine-related pathways. Its stability and reactivity can be influenced by environmental factors such as pH and temperature, making it essential to consider these conditions in practical applications. Overall, 2-Chloro-1,7-dihydro-7-(phenylmethyl)-6H-purin-6-one represents a significant compound for further research in various chemical and biological contexts.

Formula: C₁₂H₉ClN₄O

InChI: InChI=1S/C12H9ClN4O/c13-12-15-10-9(11(18)16-12)17(7-14-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16,18)

InChI key: InChIKey=WBBIEQUZXWSKAE-UHFFFAOYSA-N

SMILES: C(N1C2=C(N=C1)NC(Cl)=NC2=O)C3=CC=CC=C3

Synonyms:

• NSC 57004
• 2-Chloro-1,7-dihydro-7-(phenylmethyl)-6H-purin-6-one
• 6H-Purin-6-one, 2-chloro-1,7-dihydro-7-(phenylmethyl)-
• Hypoxanthine, 7-benzyl-2-chloro-
• 2-Chloro-6-hydroxy-7-benzylpurine