N-(CYANOMETHYL)-4-(2-((4-(3-OXO-4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)BENZAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H20N6O3
Molecular Weight	428.4433
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(CYANOMETHYL)-4-(2-((4-(3-OXO-4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)BENZAMIDE

Structure Search

SMILES

O=C(NCC#N)C1=CC=C(C=C1)C2=NC(NC3=CC=C(C=C3)N4CCOCC4=O)=NC=C2

InChI

InChIKey=GCOZTZVZABCZPR-UHFFFAOYSA-N

InChI=1S/C23H20N6O3/c24-10-12-25-22(31)17-3-1-16(2-4-17)20-9-11-26-23(28-20)27-18-5-7-19(8-6-18)29-13-14-32-15-21(29)30/h1-9,11H,12-15H2,(H,25,31)(H,26,27,28)

HIDE SMILES / InChI

Molecular Formula	C23H20N6O3
Molecular Weight	428.4433
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 15:24:35 GMT 2023` Edited by `admin` on `Sat Dec 16 15:24:35 GMT 2023`
Record UNII	98KDC0ZGX2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(CYANOMETHYL)-4-(2-((4-(3-OXO-4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)BENZAMIDE

Systematic Name

English

BENZAMIDE, N-(CYANOMETHYL)-4-(2-((4-(3-OXO-4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)-

Systematic Name

English

MOMELOTINIB METABOLITE M21

Common Name

English

Code System Code Type Description

PUBCHEM

118574199

Created by admin on Sat Dec 16 15:24:35 GMT 2023 , Edited by admin on Sat Dec 16 15:24:35 GMT 2023

PRIMARY

CAS

1841094-23-2

Created by admin on Sat Dec 16 15:24:35 GMT 2023 , Edited by admin on Sat Dec 16 15:24:35 GMT 2023

PRIMARY

FDA UNII

98KDC0ZGX2

Created by admin on Sat Dec 16 15:24:35 GMT 2023 , Edited by admin on Sat Dec 16 15:24:35 GMT 2023

PRIMARY

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC