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CAS 13182-58-6

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1,3,6,7-Tetrahydro-1,3,7-trimethyl-6-thioxo-2H-purin-2-one

Description:
1,3,6,7-Tetrahydro-1,3,7-trimethyl-6-thioxo-2H-purin-2-one, with the CAS number 13182-58-6, is a purine derivative characterized by its unique structural features, including a thioxo group and multiple methyl substitutions. This compound typically exhibits a bicyclic structure, which is common among purines, contributing to its biological activity. The presence of the thioxo group (a sulfur atom double-bonded to a carbon atom) can influence its reactivity and interaction with biological molecules. As a purine analog, it may participate in various biochemical processes, potentially acting as a substrate or inhibitor in enzymatic reactions. Its solubility and stability can vary depending on the solvent and environmental conditions, which are crucial for its application in research or pharmaceutical contexts. Additionally, the methyl groups can affect the compound's lipophilicity and overall pharmacokinetic properties. Overall, this compound's characteristics make it of interest in medicinal chemistry and biochemistry, particularly in the study of nucleic acid metabolism and related pathways.
Formula:C8H10N4OS
InChI:InChI=1S/C8H10N4OS/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3
InChI key:InChIKey=PYUDRFSIKNBDQS-UHFFFAOYSA-N
SMILES:S=C1C2=C(N(C)C(=O)N1C)N=CN2C
Synonyms:
  • Caffeine, 6-thio-
  • 1,3,6,7-Tetrahydro-1,3,7-trimethyl-6-thioxo-2H-purin-2-one
  • 1,3,7-Trimethyl-6-thioxanthine
  • 6-Thiocaffeine
  • 2H-Purin-2-one, 1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo-
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