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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H27F2N5O3
Molecular Weight 459.489
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[4-[[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-3-(3-fluoro-3-methylbutyl)urea

SMILES

COCCOC1=CC(F)=C2C(NC3=CC=C(NC(=O)NCCC(C)(C)F)C=C3)=NC=NC2=C1

InChI

InChIKey=YGSKKXQWBYSYPC-UHFFFAOYSA-N
InChI=1S/C23H27F2N5O3/c1-23(2,25)8-9-26-22(31)30-16-6-4-15(5-7-16)29-21-20-18(24)12-17(33-11-10-32-3)13-19(20)27-14-28-21/h4-7,12-14H,8-11H2,1-3H3,(H2,26,30,31)(H,27,28,29)

HIDE SMILES / InChI

Molecular Formula C23H27F2N5O3
Molecular Weight 459.489
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 21:09:49 GMT 2025
Edited
by admin
on Wed Apr 02 21:09:49 GMT 2025
Record UNII
7CU8MX7DPD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Urea, N-[4-[[5-fluoro-7-(2-methoxyethoxy)-4-quinazolinyl]amino]phenyl]-N?-(3-fluoro-3-methylbutyl)-
Preferred Name English
1-[4-[[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-3-(3-fluoro-3-methylbutyl)urea
Systematic Name English
Code System Code Type Description
CAS
2941025-37-0
Created by admin on Wed Apr 02 21:09:49 GMT 2025 , Edited by admin on Wed Apr 02 21:09:49 GMT 2025
PRIMARY
FDA UNII
7CU8MX7DPD
Created by admin on Wed Apr 02 21:09:49 GMT 2025 , Edited by admin on Wed Apr 02 21:09:49 GMT 2025
PRIMARY
PUBCHEM
169717712
Created by admin on Wed Apr 02 21:09:49 GMT 2025 , Edited by admin on Wed Apr 02 21:09:49 GMT 2025
PRIMARY