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CAS 82331-12-2

:

[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid

Description:
The chemical substance known as "[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid," with the CAS number 82331-12-2, is a purine derivative characterized by its complex structure that includes a purine ring system and a sulfanyl group attached to an acetic acid moiety. This compound features a dimethyl substitution at the 1 and 3 positions of the purine ring, contributing to its unique chemical properties. The presence of the dioxo groups indicates that it has two carbonyl functionalities, which can participate in various chemical reactions, including nucleophilic attacks and hydrogen bonding. The sulfanyl group introduces a thiol functionality, which can enhance the compound's reactivity and potential biological activity. This substance may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its solubility, stability, and reactivity can be influenced by the functional groups present, which may also affect its interactions in biological systems.
Formula:C9H10N4O4S
InChI:InChI=1/C9H10N4O4S/c1-12-6-5(7(16)13(2)9(12)17)10-8(11-6)18-3-4(14)15/h3H2,1-2H3,(H,10,11)(H,14,15)
SMILES:Cn1c2c(c(=O)n(C)c1=O)nc([nH]2)SCC(=O)O
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