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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8ClN5
Molecular Weight 245.668
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[(4-Amino-6-chloro-2-pyrimidinyl)amino]benzonitrile

SMILES

NC1=CC(Cl)=NC(NC2=CC=C(C=C2)C#N)=N1

InChI

InChIKey=WIFUACDBVMFQGM-UHFFFAOYSA-N
InChI=1S/C11H8ClN5/c12-9-5-10(14)17-11(16-9)15-8-3-1-7(6-13)2-4-8/h1-5H,(H3,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C11H8ClN5
Molecular Weight 245.668
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 Wed Apr 02 19:17:19 GMT 2025
Edited
by admin
on Wed Apr 02 19:17:19 GMT 2025
Record UNII
L4SQ4M9H2P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzonitrile, 4-[(4-amino-6-chloro-2-pyrimidinyl)amino]-
Preferred Name English
4-[(4-Amino-6-chloro-2-pyrimidinyl)amino]benzonitrile
Systematic Name English
Code System Code Type Description
CAS
1398507-08-8
Created by admin on Wed Apr 02 19:17:19 GMT 2025 , Edited by admin on Wed Apr 02 19:17:19 GMT 2025
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PUBCHEM
71465001
Created by admin on Wed Apr 02 19:17:19 GMT 2025 , Edited by admin on Wed Apr 02 19:17:19 GMT 2025
PRIMARY
FDA UNII
L4SQ4M9H2P
Created by admin on Wed Apr 02 19:17:19 GMT 2025 , Edited by admin on Wed Apr 02 19:17:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID60856126
Created by admin on Wed Apr 02 19:17:19 GMT 2025 , Edited by admin on Wed Apr 02 19:17:19 GMT 2025
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