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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N7O3P
Molecular Weight 309.2211
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of [4-[(2,4,6-Triaminopyrimidin-5-yl)diazenyl]phenyl]phosphonic acid

SMILES

NC1=NC(N)=C(\N=N\C2=CC=C(C=C2)P(O)(O)=O)C(N)=N1

InChI

InChIKey=JYPHIJBAOKJHOJ-WUKNDPDISA-N
InChI=1S/C10H12N7O3P/c11-8-7(9(12)15-10(13)14-8)17-16-5-1-3-6(4-2-5)21(18,19)20/h1-4H,(H2,18,19,20)(H6,11,12,13,14,15)/b17-16+

HIDE SMILES / InChI

Molecular Formula C10H12N7O3P
Molecular Weight 309.2211
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 19:47:25 GMT 2025
Edited
by admin
on Tue Apr 01 19:47:25 GMT 2025
Record UNII
2XQ8N9K4M3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[4-[(2,4,6-Triaminopyrimidin-5-yl)diazenyl]phenyl]phosphonic acid
Common Name English
NSC-520867
Preferred Name English
PHOSPHONIC ACID, (P-((2,4,6-TRIAMINO-5-PYRIMIDINYL)AZO)PHENYL)-
Common Name English
Code System Code Type Description
PUBCHEM
101443
Created by admin on Tue Apr 01 19:47:25 GMT 2025 , Edited by admin on Tue Apr 01 19:47:25 GMT 2025
PRIMARY
FDA UNII
2XQ8N9K4M3
Created by admin on Tue Apr 01 19:47:25 GMT 2025 , Edited by admin on Tue Apr 01 19:47:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID101173398
Created by admin on Tue Apr 01 19:47:25 GMT 2025 , Edited by admin on Tue Apr 01 19:47:25 GMT 2025
PRIMARY
NSC
520867
Created by admin on Tue Apr 01 19:47:25 GMT 2025 , Edited by admin on Tue Apr 01 19:47:25 GMT 2025
PRIMARY
CAS
3822-79-5
Created by admin on Tue Apr 01 19:47:25 GMT 2025 , Edited by admin on Tue Apr 01 19:47:25 GMT 2025
PRIMARY