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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8N2O4S
Molecular Weight 276.268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]benzoic acid

SMILES

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

InChI

InChIKey=WHZCXTOAZVYXJV-UHFFFAOYSA-N
InChI=1S/C12H8N2O4S/c15-9-8(10(16)14-12(19)13-9)5-6-3-1-2-4-7(6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)

HIDE SMILES / InChI

Molecular Formula C12H8N2O4S
Molecular Weight 276.268
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 19:36:16 GMT 2025
Edited
by admin
on Tue Apr 01 19:36:16 GMT 2025
Record UNII
FE9X847CZT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(Tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]benzoic acid
Systematic Name English
NSC-90754
Preferred Name English
o-Toluic acid, ?-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-
Common Name English
Benzoic acid, 2-[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
3034521
Created by admin on Tue Apr 01 19:36:16 GMT 2025 , Edited by admin on Tue Apr 01 19:36:16 GMT 2025
PRIMARY
NSC
90754
Created by admin on Tue Apr 01 19:36:16 GMT 2025 , Edited by admin on Tue Apr 01 19:36:16 GMT 2025
PRIMARY
FDA UNII
FE9X847CZT
Created by admin on Tue Apr 01 19:36:16 GMT 2025 , Edited by admin on Tue Apr 01 19:36:16 GMT 2025
PRIMARY
CAS
73909-20-3
Created by admin on Tue Apr 01 19:36:16 GMT 2025 , Edited by admin on Tue Apr 01 19:36:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID80224500
Created by admin on Tue Apr 01 19:36:16 GMT 2025 , Edited by admin on Tue Apr 01 19:36:16 GMT 2025
PRIMARY