CAS 848658-76-4

7-Butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-1H-purine-2,6-dione

Description:

7-Butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-1H-purine-2,6-dione, with the CAS number 848658-76-4, is a synthetic organic compound that belongs to the purine class of molecules. Its structure features a purine core, which is characterized by a fused bicyclic system containing both pyrimidine and imidazole rings. The presence of a butyl group and a chloromethyl substituent contributes to its hydrophobic and potentially reactive properties, while the phenylmethyl group enhances its lipophilicity and may influence its biological activity. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry. Its solubility, stability, and reactivity can vary depending on the solvent and environmental conditions. As with many synthetic compounds, safety data should be consulted to understand its toxicity and handling requirements. Overall, this compound represents a complex structure with potential applications in drug development and research.

Formula: C₁₇H₁₉ClN₄O₂

InChI: InChI=1S/C17H19ClN4O2/c1-2-3-9-21-13(10-18)19-15-14(21)16(23)20-17(24)22(15)11-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,20,23,24)

InChI key: InChIKey=BZKGONQOWRKCEO-UHFFFAOYSA-N

SMILES: C(CCC)N1C2=C(N(CC3=CC=CC=C3)C(=O)NC2=O)N=C1CCl

Synonyms:

• 1H-Purine-2,6-dione, 7-butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-
• 7-Butyl-8-(chloromethyl)-3,7-dihydro-3-(phenylmethyl)-1H-purine-2,6-dione