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Details

Stereochemistry ACHIRAL
Molecular Formula C13H8N6O6
Molecular Weight 344.2392
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-(3,5-DIHYDROXY-1,2,4-TRIAZIN-6-YL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID

SMILES

OC(=O)C1=NN(C(=O)NC1=O)C2=CC=CC=C2C3=NNC(=O)NC3=O

InChI

InChIKey=IXKGNNQTJQVGKK-UHFFFAOYSA-N
InChI=1S/C13H8N6O6/c20-9-7(16-17-12(24)14-9)5-3-1-2-4-6(5)19-13(25)15-10(21)8(18-19)11(22)23/h1-4H,(H,22,23)(H,15,21,25)(H2,14,17,20,24)

HIDE SMILES / InChI

Molecular Formula C13H8N6O6
Molecular Weight 344.2392
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 20:00:07 GMT 2025
Edited
by admin
on Tue Apr 01 20:00:07 GMT 2025
Record UNII
DYO2ULQ3CL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-362639
Preferred Name English
2-(2-(3,5-DIHYDROXY-1,2,4-TRIAZIN-6-YL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID
Systematic Name English
2,3,4,5-TETRAHYDRO-3,5-DIOXO-2-(2-(2,3,4,5-TETRAHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-6-YL)PHENYL)-1,2,4-TRIAZINE-6-CARBOXYLIC ACID
Systematic Name English
1,2,4-TRIAZINE-6-CARBOXYLIC ACID, 2,3,4,5-TETRAHYDRO-3,5-DIOXO-2-(2-(2,3,4,5-TETRAHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-6-YL)PHENYL)-
Systematic Name English
Code System Code Type Description
CAS
72177-30-1
Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025
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PUBCHEM
338741
Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025
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EPA CompTox
DTXSID70222510
Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025
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NSC
362639
Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025
PRIMARY
FDA UNII
DYO2ULQ3CL
Created by admin on Tue Apr 01 20:00:07 GMT 2025 , Edited by admin on Tue Apr 01 20:00:07 GMT 2025
PRIMARY