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Details

Stereochemistry ACHIRAL
Molecular Formula C19H17N5
Molecular Weight 315.3718
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC1=CC=CC(C)=C1NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2

InChI

InChIKey=ZLDVCBHUWLWCTP-UHFFFAOYSA-N
InChI=1S/C19H17N5/c1-13-4-3-5-14(2)18(13)23-17-10-11-21-19(24-17)22-16-8-6-15(12-20)7-9-16/h3-11H,1-2H3,(H2,21,22,23,24)

HIDE SMILES / InChI

Molecular Formula C19H17N5
Molecular Weight 315.3718
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 19:27:33 GMT 2025
Edited
by admin
on Wed Apr 02 19:27:33 GMT 2025
Record UNII
PV6CDE4RTH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzonitrile, 4-[[4-[(2,6-dimethylphenyl)amino]-2-pyrimidinyl]amino]-
Preferred Name English
4-[[4-[(2,6-Dimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
PV6CDE4RTH
Created by admin on Wed Apr 02 19:27:33 GMT 2025 , Edited by admin on Wed Apr 02 19:27:33 GMT 2025
PRIMARY
PUBCHEM
488766
Created by admin on Wed Apr 02 19:27:33 GMT 2025 , Edited by admin on Wed Apr 02 19:27:33 GMT 2025
PRIMARY
CAS
244768-59-0
Created by admin on Wed Apr 02 19:27:33 GMT 2025 , Edited by admin on Wed Apr 02 19:27:33 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT