Molecule record

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

C8H11N3O3S

229.26 g/mol

Loading structure

Molecular properties

Formula
C8H11N3O3S
Molar mass
229.26 g·mol−1
Exact mass
229.0521 Da
5
PubChem CID
60825

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Ether
Primary amine
Sulfide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (-)-1-((2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine
  • (-)-2'-Deoxy-3'-thiacytidine
  • (-)-BCH-189
  • 134678-17-4
  • 2T8Q726O95
  • 3'-Thia-2',3'-dideoxycytidine
  • 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]-1,2-DIHYDROPYRIMIDIN-2-ONE
  • 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]-2(1H)-PYRIMIDINONE
Show all 24 synonyms
  • 4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one
  • BCH 189, (-)-
  • BCH189
  • CHEBI:63577
  • Epivir
  • Epivir-HBV
  • GR-109714X
  • GR109714X
  • Lamivudina
  • Lamivudine teva
  • Lamivudinum
  • VIROLAM
  • Zeffix
  • beta-L-2',3'-Dideoxy-3'-thiacytidine
  • beta-L-3'-Thia-2',3'-dideoxycytidine
  • lamivudine

Structure identifiers

Canonical SMILES
Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Isomeric SMILES
C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/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+/m0/s1
InChIKey
JTEGQNOMFQHVDC-NKWVEPMBSA-N
PubChem CID
60825

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record