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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H12N2O3
Molecular Weight 184.1925
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-BUTYL BARBITURIC ACID

SMILES

CCCCC1C(=O)NC(=O)NC1=O

InChI

InChIKey=HTKIZIQFMHVTRJ-UHFFFAOYSA-N
InChI=1S/C8H12N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h5H,2-4H2,1H3,(H2,9,10,11,12,13)

HIDE SMILES / InChI

Molecular Formula C8H12N2O3
Molecular Weight 184.1925
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:48:02 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:02 GMT 2025
Record UNII
B0Z1Q56YCM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-BUTYL BARBITURIC ACID
Systematic Name English
NSC-120724
Preferred Name English
5-BUTYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Systematic Name English
NSC-32314
Code English
BARBITURIC ACID, 5-BUTYL-
Systematic Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-BUTYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7062085
Created by admin on Tue Apr 01 17:48:02 GMT 2025 , Edited by admin on Tue Apr 01 17:48:02 GMT 2025
PRIMARY
CAS
1953-33-9
Created by admin on Tue Apr 01 17:48:02 GMT 2025 , Edited by admin on Tue Apr 01 17:48:02 GMT 2025
PRIMARY
NSC
32314
Created by admin on Tue Apr 01 17:48:02 GMT 2025 , Edited by admin on Tue Apr 01 17:48:02 GMT 2025
PRIMARY
FDA UNII
B0Z1Q56YCM
Created by admin on Tue Apr 01 17:48:02 GMT 2025 , Edited by admin on Tue Apr 01 17:48:02 GMT 2025
PRIMARY
ECHA (EC/EINECS)
217-781-0
Created by admin on Tue Apr 01 17:48:02 GMT 2025 , Edited by admin on Tue Apr 01 17:48:02 GMT 2025
PRIMARY
PUBCHEM
74771
Created by admin on Tue Apr 01 17:48:02 GMT 2025 , Edited by admin on Tue Apr 01 17:48:02 GMT 2025
PRIMARY
NSC
120724
Created by admin on Tue Apr 01 17:48:02 GMT 2025 , Edited by admin on Tue Apr 01 17:48:02 GMT 2025
PRIMARY