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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10N6O2
Molecular Weight 270.2468
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-[(4-Nitrophenyl)methyl]-9H-purin-6-amine

SMILES

[O-][N+](=O)C1=CC=C(CNC2=C3N=CN=C3N=CN2)C=C1

InChI

InChIKey=AXYKSADFXHVJFP-UHFFFAOYSA-N
InChI=1S/C12H10N6O2/c19-18(20)9-3-1-8(2-4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7H,5H2,(H2,13,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C12H10N6O2
Molecular Weight 270.2468
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 Mon Mar 31 22:23:16 GMT 2025
Edited
by admin
on Mon Mar 31 22:23:16 GMT 2025
Record UNII
WG6ND67Q9U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-[(4-Nitrophenyl)methyl]-9H-purin-6-amine
Systematic Name English
1H-Purin-6-amine, N-((4-nitrophenyl)methyl)-
Preferred Name English
9H-Purin-6-amine, 9-[(4-nitrophenyl)methyl]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90199336
Created by admin on Mon Mar 31 22:23:16 GMT 2025 , Edited by admin on Mon Mar 31 22:23:16 GMT 2025
PRIMARY
FDA UNII
WG6ND67Q9U
Created by admin on Mon Mar 31 22:23:16 GMT 2025 , Edited by admin on Mon Mar 31 22:23:16 GMT 2025
PRIMARY
CAS
5134-49-6
Created by admin on Mon Mar 31 22:23:16 GMT 2025 , Edited by admin on Mon Mar 31 22:23:16 GMT 2025
PRIMARY
PUBCHEM
145778
Created by admin on Mon Mar 31 22:23:16 GMT 2025 , Edited by admin on Mon Mar 31 22:23:16 GMT 2025
PRIMARY