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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H9IN2O4S
Molecular Weight 404.18
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(5-Iodovanillylidene)-2-thiobarbituric acid

SMILES

COC1=C(O)C(I)=CC(C=C2C(=O)NC(=S)NC2=O)=C1

InChI

InChIKey=DTPKHLIHZPJSFQ-UHFFFAOYSA-N
InChI=1S/C12H9IN2O4S/c1-19-8-4-5(3-7(13)9(8)16)2-6-10(17)14-12(20)15-11(6)18/h2-4,16H,1H3,(H2,14,15,17,18,20)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-90733
Preferred Name English
5-(5-Iodovanillylidene)-2-thiobarbituric acid
Common Name English
Dihydro-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]-2-thioxo-4,6(1H,5H)-pyrimidinedione
Systematic Name English
Barbituric acid, 5-(5-iodovanillylidene)-2-thio-
Common Name English
4,6(1H,5H)-Pyrimidinedione, dihydro-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]-2-thioxo-
Systematic Name English
Code System Code Type Description
FDA UNII
TJM7GMV8AK
Created by admin on Tue Apr 01 19:59:36 GMT 2025 , Edited by admin on Tue Apr 01 19:59:36 GMT 2025
PRIMARY
CAS
73681-09-1
Created by admin on Tue Apr 01 19:59:36 GMT 2025 , Edited by admin on Tue Apr 01 19:59:36 GMT 2025
PRIMARY
PUBCHEM
5361947
Created by admin on Tue Apr 01 19:59:36 GMT 2025 , Edited by admin on Tue Apr 01 19:59:36 GMT 2025
PRIMARY
NSC
90733
Created by admin on Tue Apr 01 19:59:36 GMT 2025 , Edited by admin on Tue Apr 01 19:59:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID50223949
Created by admin on Tue Apr 01 19:59:36 GMT 2025 , Edited by admin on Tue Apr 01 19:59:36 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966