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CAS 160552-55-6

:

2(1H)-Pyrimidinone, 4-amino-1-[(2R,3S,5S)-2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]-

Description:
2(1H)-Pyrimidinone, 4-amino-1-[(2R,3S,5S)-2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]- is a chemical compound characterized by its pyrimidinone core structure, which features a pyrimidine ring with a carbonyl and amino group. The presence of the oxathiolane moiety indicates that it contains a five-membered ring with sulfur and oxygen, contributing to its potential biological activity. This compound is likely to exhibit polar characteristics due to the hydroxymethyl and amino groups, which can engage in hydrogen bonding. Its stereochemistry, indicated by the (2R,3S,5S) configuration, suggests specific spatial arrangements that may influence its interaction with biological targets. The compound may be of interest in medicinal chemistry, particularly in the development of antiviral or antibacterial agents, given the structural motifs commonly associated with nucleoside analogs. Additionally, its solubility and stability in various solvents would be important for its application in pharmaceutical formulations. Overall, this compound represents a complex structure with potential therapeutic implications.
Formula:C8H11N3O4S
InChI:InChI=1S/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16-/m0/s1
InChI key:InChIKey=LJMQAXFNQNADRZ-RAPPMSLKSA-N
SMILES:O=C1N([C@H]2O[C@@H](CO)S(=O)C2)C=CC(N)=N1
Synonyms:
  • 1,3-Oxathiolane, 2(1H)-pyrimidinone deriv.
  • 2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, S-oxide, (2R-(2alpha,3alpha,5alpha))-
  • 2(1H)-Pyrimidinone, 4-amino-1-[(2R,3S,5S)-2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]-
  • 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, S-oxide, [2R-(2α,3α,5α)]-
  • 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]-, [2R-(2α,3α,5α)]-
  • 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-3-oxido-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one
  • Gi 138868X
  • Gi 138870X
  • Lamivudine sulfoxide
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