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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13N3O5
Molecular Weight 267.238
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4?-Cyanothymidine

SMILES

CC1=CN([C@H]2C[C@H](O)[C@@](CO)(O2)C#N)C(=O)NC1=O

InChI

InChIKey=LOOAUVYUIGMRGU-VAOFZXAKSA-N
InChI=1S/C11H13N3O5/c1-6-3-14(10(18)13-9(6)17)8-2-7(16)11(4-12,5-15)19-8/h3,7-8,15-16H,2,5H2,1H3,(H,13,17,18)/t7-,8+,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H13N3O5
Molecular Weight 267.238
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:18:48 GMT 2025
Edited
by admin
on Mon Mar 31 23:18:48 GMT 2025
Record UNII
N5KU5J3LZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4?-Cyanothymidine
Systematic Name English
Thymidine, 4?-cyano-
Preferred Name English
Code System Code Type Description
CAS
139888-11-2
Created by admin on Mon Mar 31 23:18:48 GMT 2025 , Edited by admin on Mon Mar 31 23:18:48 GMT 2025
PRIMARY
PUBCHEM
452277
Created by admin on Mon Mar 31 23:18:48 GMT 2025 , Edited by admin on Mon Mar 31 23:18:48 GMT 2025
PRIMARY
FDA UNII
N5KU5J3LZH
Created by admin on Mon Mar 31 23:18:48 GMT 2025 , Edited by admin on Mon Mar 31 23:18:48 GMT 2025
PRIMARY