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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N6O2S.2BrH
Molecular Weight 470.183
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ro-04-6790 dihydrobromide

SMILES

Br.Br.CNC1=NC(NC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1

InChI

InChIKey=HGHHFIABFLTLCY-UHFFFAOYSA-N
InChI=1S/C12H16N6O2S.2BrH/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9;;/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18);2*1H

HIDE SMILES / InChI

Molecular Formula C12H16N6O2S
Molecular Weight 308.359
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
7.26 null [pKi]
Substance Class Chemical
Created
by admin
on Wed Apr 02 16:24:19 GMT 2025
Edited
by admin
on Wed Apr 02 16:24:19 GMT 2025
Record UNII
5PXX7C7PTW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzene-1-sulfonamide dihydrobromide
Preferred Name English
Ro-04-6790 dihydrobromide
Common Name English
Benzenesulfonamide, 4-amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]-, hydrobromide (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
20846175
Created by admin on Wed Apr 02 16:24:19 GMT 2025 , Edited by admin on Wed Apr 02 16:24:19 GMT 2025
PRIMARY
FDA UNII
5PXX7C7PTW
Created by admin on Wed Apr 02 16:24:19 GMT 2025 , Edited by admin on Wed Apr 02 16:24:19 GMT 2025
PRIMARY
CAS
1348584-43-9
Created by admin on Wed Apr 02 16:24:19 GMT 2025 , Edited by admin on Wed Apr 02 16:24:19 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE