Zongertinib

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 Search

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

Molecular Formula	C29H29N9O2
Molecular Weight	535.5997
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 `Sat Dec 16 19:06:46 GMT 2023` Edited by `admin` on `Sat Dec 16 19:06:46 GMT 2023`
Record UNII	DRH7R67UVL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Zongertinib

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