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CAS 139757-68-9

:

4-amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one

Description:
4-amino-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one, with the CAS number 139757-68-9, is a chemical compound characterized by its pyrimidine and oxathiolane moieties. This substance features an amino group at the 4-position of the pyrimidine ring, which contributes to its potential biological activity. The oxathiolane ring, which contains a sulfur atom, is substituted with a hydroxymethyl group, enhancing its reactivity and solubility in polar solvents. The stereochemistry of the oxathiolane is specified as (2R,5R), indicating the presence of specific chiral centers that may influence the compound's pharmacological properties. This compound is of interest in medicinal chemistry, particularly for its potential antiviral or therapeutic applications, as it may interact with biological targets through hydrogen bonding and other non-covalent interactions. Its structural features suggest that it could be involved in nucleic acid metabolism or serve as a scaffold for drug development.
Formula:C8H11N3O3S
InChI:InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1
SMILES:c1cn([C@H]2CS[C@H](CO)O2)c(nc1=N)O
Synonyms:
  • .alpha.-L-(+)-(2R,5R)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine
  • .alpha.-L-Oxathionyl-cytidine
  • 2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-trans)-
  • trans-2-Hydroxymethyl-5-(cytosin-1-yl)-1,3-oxathiolane
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