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

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=C(C)C(NC2=NC=CC(=N2)C3=CN=CC=C3)=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

Approval Year

Name Type Language
Butyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate
Systematic Name English
Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, butyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
156275084
Created by admin on Sat Dec 16 19:14:27 GMT 2023 , Edited by admin on Sat Dec 16 19:14:27 GMT 2023
PRIMARY
CAS
2640339-43-9
Created by admin on Sat Dec 16 19:14:27 GMT 2023 , Edited by admin on Sat Dec 16 19:14:27 GMT 2023
PRIMARY
FDA UNII
2GV47ZM35H
Created by admin on Sat Dec 16 19:14:27 GMT 2023 , Edited by admin on Sat Dec 16 19:14:27 GMT 2023
PRIMARY