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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22N4O2
Molecular Weight 362.425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate

SMILES

CCCCOC(=O)C1=CC(NC2=NC(=CC=N2)C3=CN=CC=C3)=C(C)C=C1

InChI

InChIKey=MCLJFJQTOAPYMW-UHFFFAOYSA-N
InChI=1S/C21H22N4O2/c1-3-4-12-27-20(26)16-8-7-15(2)19(13-16)25-21-23-11-9-18(24-21)17-6-5-10-22-14-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24,25)

HIDE SMILES / InChI

Molecular Formula C21H22N4O2
Molecular Weight 362.425
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 14:24:34 GMT 2025
Edited
by admin
on Wed Apr 02 14:24:34 GMT 2025
Record UNII
2GV47ZM35H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, butyl ester
Preferred Name English
Butyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
156275084
Created by admin on Wed Apr 02 14:24:34 GMT 2025 , Edited by admin on Wed Apr 02 14:24:34 GMT 2025
PRIMARY
CAS
2640339-43-9
Created by admin on Wed Apr 02 14:24:34 GMT 2025 , Edited by admin on Wed Apr 02 14:24:34 GMT 2025
PRIMARY
FDA UNII
2GV47ZM35H
Created by admin on Wed Apr 02 14:24:34 GMT 2025 , Edited by admin on Wed Apr 02 14:24:34 GMT 2025
PRIMARY