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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H12FN5
Molecular Weight 257.2663
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BW-A 78U

SMILES

CNC1=NC=NC2=C1N=CN2CC3=CC=CC=C3F

InChI

InChIKey=MZABAGHILOTTOD-UHFFFAOYSA-N
InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)

HIDE SMILES / InChI

Approval Year

Name Type Language
BW-A 78U
Code English
BWA-78U
Preferred Name English
Code System Code Type Description
CAS
101155-02-6
Created by admin on Mon Mar 31 22:00:58 GMT 2025 , Edited by admin on Mon Mar 31 22:00:58 GMT 2025
PRIMARY
FDA UNII
DX8S5Q0N0S
Created by admin on Mon Mar 31 22:00:58 GMT 2025 , Edited by admin on Mon Mar 31 22:00:58 GMT 2025
PRIMARY
PUBCHEM
127779
Created by admin on Mon Mar 31 22:00:58 GMT 2025 , Edited by admin on Mon Mar 31 22:00:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID50143759
Created by admin on Mon Mar 31 22:00:58 GMT 2025 , Edited by admin on Mon Mar 31 22:00:58 GMT 2025
PRIMARY