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

Details

Stereochemistry ACHIRAL
Molecular Formula C29H29N9O2
Molecular Weight 535.5997
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Zongertinib

SMILES

CN1C=NC2=CC(OC3=CC=C(NC4=NC=NC5=C4N=C(N=C5)N6CCC(CC6)NC(=O)C=C)C=C3C)=CC=C12

InChI

InChIKey=YSGNGFPNTLERCR-UHFFFAOYSA-N
InChI=1S/C29H29N9O2/c1-4-26(39)34-19-9-11-38(12-10-19)29-30-15-23-27(36-29)28(32-16-31-23)35-20-5-8-25(18(2)13-20)40-21-6-7-24-22(14-21)33-17-37(24)3/h4-8,13-17,19H,1,9-12H2,2-3H3,(H,34,39)(H,31,32,35)

HIDE SMILES / InChI

Approval Year

Name Type Language
Zongertinib
INN  
Official Name English
N-[1-(8-{3-methyl-4-[(1-methyl-1H-1,3-benzimidazol-5- yl)oxy]anilino}pyrimido[5,4-d]pyrimidin-2-yl)piperidin-4- yl]prop-2-enamide
Systematic Name English
zongertinib [INN]
Common Name English
N-[1-(8-{3-methyl-4-[(1-methyl-1H-1,3-benzimidazol-5- yl)oxy]anilino}pyrimido[5,4-d]pyrimidin-2-yl)piperidin-4- yl]prop-2-enamide
Systematic Name English
Code System Code Type Description
CAS
2728667-27-2
Created by admin on Sat Dec 16 19:06:46 GMT 2023 , Edited by admin on Sat Dec 16 19:06:46 GMT 2023
PRIMARY
INN
12474
Created by admin on Sat Dec 16 19:06:46 GMT 2023 , Edited by admin on Sat Dec 16 19:06:46 GMT 2023
PRIMARY
FDA UNII
DRH7R67UVL
Created by admin on Sat Dec 16 19:06:46 GMT 2023 , Edited by admin on Sat Dec 16 19:06:46 GMT 2023
PRIMARY
PUBCHEM
160283094
Created by admin on Sat Dec 16 19:06:46 GMT 2023 , Edited by admin on Sat Dec 16 19:06:46 GMT 2023
PRIMARY
NCI_THESAURUS
C199022
Created by admin on Sat Dec 16 19:06:46 GMT 2023 , Edited by admin on Sat Dec 16 19:06:46 GMT 2023
PRIMARY