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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

Molecular Formula C12H9IN2O4S
Molecular Weight 404.18
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:59:36 GMT 2025
Edited
by admin
on Tue Apr 01 19:59:36 GMT 2025
Record UNII
TJM7GMV8AK
Record Status Validated (UNII)
Record Version
  • Download
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
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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
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