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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H3F3N2O2
Molecular Weight 180.0847
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(TRIFLUOROMETHYL)URACIL

SMILES

FC(F)(F)C1=CNC(=O)NC1=O

InChI

InChIKey=LMNPKIOZMGYQIU-UHFFFAOYSA-N
InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)

HIDE SMILES / InChI

Molecular Formula C5H3F3N2O2
Molecular Weight 180.0847
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii.
1994 Aug 17
The unsaturated acyclic nucleoside analogues bearing a sterically constrained (Z)-4'-benzamido-2'-butenyl moiety: Synthesis, X-ray crystal structure study, cytostatic and antiviral activity evaluations.
2010 Sep 1
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:59:32 UTC 2023
Edited
by admin
on Sat Dec 16 04:59:32 UTC 2023
Record UNII
4U846R5P34
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(TRIFLUOROMETHYL)URACIL
Systematic Name English
URACIL, 5-(TRIFLUOROMETHYL)-
Systematic Name English
2,4(1H,3H)-PYRIMIDINEDIONE, 5-(TRIFLUOROMETHYL)-
Systematic Name English
5-(TRIFLUOROMETHYL)-2,4(1H,3H)-PYRIMIDINEDIONE
Systematic Name English
5-(TRIFLUOROMETHYL)PYRIMIDINE-2,4-DIOL
Systematic Name English
NSC-73757
Code English
TRIFLUOROTHYMINE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
200-197-5
Created by admin on Sat Dec 16 04:59:32 UTC 2023 , Edited by admin on Sat Dec 16 04:59:32 UTC 2023
PRIMARY
PUBCHEM
5899
Created by admin on Sat Dec 16 04:59:32 UTC 2023 , Edited by admin on Sat Dec 16 04:59:32 UTC 2023
PRIMARY
CAS
54-20-6
Created by admin on Sat Dec 16 04:59:32 UTC 2023 , Edited by admin on Sat Dec 16 04:59:32 UTC 2023
PRIMARY
NSC
73757
Created by admin on Sat Dec 16 04:59:32 UTC 2023 , Edited by admin on Sat Dec 16 04:59:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID40202304
Created by admin on Sat Dec 16 04:59:32 UTC 2023 , Edited by admin on Sat Dec 16 04:59:32 UTC 2023
PRIMARY
FDA UNII
4U846R5P34
Created by admin on Sat Dec 16 04:59:32 UTC 2023 , Edited by admin on Sat Dec 16 04:59:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE