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Details

Stereochemistry ACHIRAL
Molecular Formula C20H16N6O
Molecular Weight 356.3806
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((6-AMINO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3,5-DIMETHYLBENZONITRILE

SMILES

CC1=CC(=CC(C)=C1OC2=NC(NC3=CC=C(C=C3)C#N)=NC(N)=C2)C#N

InChI

InChIKey=QELKPCHCXREHAE-UHFFFAOYSA-N
InChI=1S/C20H16N6O/c1-12-7-15(11-22)8-13(2)19(12)27-18-9-17(23)25-20(26-18)24-16-5-3-14(10-21)4-6-16/h3-9H,1-2H3,(H3,23,24,25,26)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(6-AMINO-2-(4-CYANOPHENYLAMINO)PYRIMIDIN-4-YLOXY)-3,5-DIMETHYLBENZONITRILE
Preferred Name English
4-((6-AMINO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3,5-DIMETHYLBENZONITRILE
Systematic Name English
BENZONITRILE, 4-((6-AMINO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
939431-68-2
Created by admin on Wed Apr 02 10:49:36 GMT 2025 , Edited by admin on Wed Apr 02 10:49:36 GMT 2025
PRIMARY
PUBCHEM
486367
Created by admin on Wed Apr 02 10:49:36 GMT 2025 , Edited by admin on Wed Apr 02 10:49:36 GMT 2025
PRIMARY
FDA UNII
X6ZC3L4U55
Created by admin on Wed Apr 02 10:49:36 GMT 2025 , Edited by admin on Wed Apr 02 10:49:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID20333145
Created by admin on Wed Apr 02 10:49:36 GMT 2025 , Edited by admin on Wed Apr 02 10:49:36 GMT 2025
PRIMARY
NIH
NCATS
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