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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H11N5O.BrH
Molecular Weight 322.161
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-benzyl-1-oxidopurin-1-ium-6-amine hydrobromide

SMILES

Br.NC1=C2N=CN(CC3=CC=CC=C3)C2=NC=[N+]1[O-]

InChI

InChIKey=SFTORANIHXHLNG-UHFFFAOYSA-N
InChI=1S/C12H11N5O.BrH/c13-11-10-12(15-8-17(11)18)16(7-14-10)6-9-4-2-1-3-5-9;/h1-5,7-8H,6,13H2;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
9-benzyl-1-oxidopurin-1-ium-6-amine hydrobromide
Systematic Name English
Adenine, 9-benzyl-, 1-oxide, monohydrobromide
Systematic Name English
9H-Purin-6-amine, 9-(phenylmethyl)-, 1-oxide, hydrobromide (1:1)
Systematic Name English
Code System Code Type Description
CAS
4261-15-8
Created by admin on Sat Dec 16 19:51:43 GMT 2023 , Edited by admin on Sat Dec 16 19:51:43 GMT 2023
PRIMARY
FDA UNII
X8AFH3BV5P
Created by admin on Sat Dec 16 19:51:43 GMT 2023 , Edited by admin on Sat Dec 16 19:51:43 GMT 2023
PRIMARY