U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12N2O5S
Molecular Weight 260.267
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((2R,3R,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL)-4-SULFANYLIDENEPYRIMIDIN-2-ONE

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@H]1O)N2C=CC(=S)NC2=O

InChI

InChIKey=ZLOIGESWDJYCTF-PXBUCIJWSA-N
InChI=1S/C9H12N2O5S/c12-3-4-6(13)7(14)8(16-4)11-2-1-5(17)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15,17)/t4-,6+,7-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H12N2O5S
Molecular Weight 260.267
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:38:45 GMT 2025
Edited
by admin
on Mon Mar 31 20:38:45 GMT 2025
Record UNII
BC6P8D2DFX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2(1H)-PYRIMIDINONE, 3,4-DIHYDRO-4-THIOXO-1-.BETA.-D-XYLOFURANOSYL-
Preferred Name English
1-((2R,3R,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL)-4-SULFANYLIDENEPYRIMIDIN-2-ONE
Systematic Name English
3,4-DIHYDRO-4-THIOXO-1-.BETA.-D-XYLOFURANOSYL-2(1H)-PYRIMIDINONE
Systematic Name English
Code System Code Type Description
PUBCHEM
12517386
Created by admin on Mon Mar 31 20:38:45 GMT 2025 , Edited by admin on Mon Mar 31 20:38:45 GMT 2025
PRIMARY
CAS
68027-44-1
Created by admin on Mon Mar 31 20:38:45 GMT 2025 , Edited by admin on Mon Mar 31 20:38:45 GMT 2025
PRIMARY
FDA UNII
BC6P8D2DFX
Created by admin on Mon Mar 31 20:38:45 GMT 2025 , Edited by admin on Mon Mar 31 20:38:45 GMT 2025
PRIMARY