CAS 98027-86-2

2,6-Dichloro-7,9-dihydro-8H-purin-8-one

Description:

2,6-Dichloro-7,9-dihydro-8H-purin-8-one, with the CAS number 98027-86-2, is a purine derivative characterized by its bicyclic structure, which includes a fused imidazole and pyrimidine ring. This compound features two chlorine atoms at the 2 and 6 positions, contributing to its unique reactivity and potential biological activity. The presence of a carbonyl group at the 8-position enhances its ability to participate in various chemical reactions. It is typically a solid at room temperature and may exhibit moderate solubility in polar solvents. This compound is of interest in medicinal chemistry due to its potential applications in pharmaceuticals, particularly in the development of antiviral or anticancer agents. Its structural modifications can influence its biological activity, making it a subject of research in drug design. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, 2,6-Dichloro-7,9-dihydro-8H-purin-8-one represents a significant compound in the study of purine analogs.

Formula: C₅H₂Cl₂N₄O

InChI: InChI=1S/C5H2Cl2N4O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H2,8,9,10,11,12)

InChI key: InChIKey=XQTXZNIILLJNQA-UHFFFAOYSA-N

SMILES: ClC1=C2C(NC(=O)N2)=NC(Cl)=N1

Synonyms:

• NSC 62665
• 2,6-Dichloro-7,9-dihydro-8H-purin-8-one
• 8H-Purin-8-one, 2,6-dichloro-7,9-dihydro-
• 8H-Purin-8-one, 2,6-dichloro-1,7-dihydro-
• Purin-8-ol, 2,6-dichloro-