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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10N2O4S
Molecular Weight 278.284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(4-Hydroxy-3-methoxy-benzylidene)-2-mercapto-1H-pyrimidine-4,6-dione

SMILES

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

InChI

InChIKey=NJSVXZLVNLOVCG-UHFFFAOYSA-N
InChI=1S/C12H10N2O4S/c1-18-9-5-6(2-3-8(9)15)4-7-10(16)13-12(19)14-11(7)17/h2-5,15H,1H3,(H2,13,14,16,17,19)

HIDE SMILES / InChI

Molecular Formula C12H10N2O4S
Molecular Weight 278.284
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 Sat Dec 16 12:46:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:46:49 GMT 2023
Record UNII
PFW7LKG4VR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(4-Hydroxy-3-methoxy-benzylidene)-2-mercapto-1H-pyrimidine-4,6-dione
Systematic Name English
NSC-509230
Code English
BARBITURIC ACID, 2-THIO-5-VANILLYLIDENE-
Common Name English
4,6(1H,5H)-Pyrimidinedione, dihydro-5-[(4-hydroxy-3-methoxyphenyl)methylene]-2-thioxo-
Systematic Name English
Dihydro-5-[(4-hydroxy-3-methoxyphenyl)methylene]-2-thioxo-4,6(1H,5H)-pyrimidinedione
Systematic Name English
Code System Code Type Description
FDA UNII
PFW7LKG4VR
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
PRIMARY
CAS
73681-14-8
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
PRIMARY
NSC
509230
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
PRIMARY
PUBCHEM
5285855
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID80223952
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
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