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

Details

Stereochemistry RACEMIC
Molecular Formula C11H9Cl2FN4
Molecular Weight 287.12
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, RACEMIC

SHOW SMILES / InChI
Structure of BW-4030W92, (±)-

SMILES

NC1=NC(CF)=C(C(N)=N1)C2=C(Cl)C(Cl)=CC=C2

InChI

InChIKey=GKBLWFDYSYTVEA-UHFFFAOYSA-N
InChI=1S/C11H9Cl2FN4/c12-6-3-1-2-5(9(6)13)8-7(4-14)17-11(16)18-10(8)15/h1-3H,4H2,(H4,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula C11H9Cl2FN4
Molecular Weight 287.12
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 Fri Dec 15 16:02:05 GMT 2023
Edited
by admin
on Fri Dec 15 16:02:05 GMT 2023
Record UNII
53EO6RMY8Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BW-4030W92, (±)-
Common Name English
2,4-PYRIMIDINEDIAMINE, 5-(2,3-DICHLOROPHENYL)-6-(FLUOROMETHYL)-
Systematic Name English
BW-4030W92
Common Name English
Code System Code Type Description
CAS
130801-33-1
Created by admin on Fri Dec 15 16:02:05 GMT 2023 , Edited by admin on Fri Dec 15 16:02:05 GMT 2023
PRIMARY
FDA UNII
53EO6RMY8Z
Created by admin on Fri Dec 15 16:02:05 GMT 2023 , Edited by admin on Fri Dec 15 16:02:05 GMT 2023
PRIMARY
PUBCHEM
9860692
Created by admin on Fri Dec 15 16:02:05 GMT 2023 , Edited by admin on Fri Dec 15 16:02:05 GMT 2023
PRIMARY