2-(4-(6-((5-(8-CHLORO-4H-3,1-BENZOXAZIN-2-YL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ETHANOL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H24ClN7O2S
Molecular Weight	485.99
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-(6-((5-(8-CHLORO-4H-3,1-BENZOXAZIN-2-YL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ETHANOL

Structure Search

SMILES

CC1=NC(NC2=NC=C(S2)C3=NC4=C(CO3)C=CC=C4Cl)=CC(=N1)N5CCN(CCO)CC5

InChI

InChIKey=NZZHWCBOVGYLJV-UHFFFAOYSA-N

InChI=1S/C22H24ClN7O2S/c1-14-25-18(11-19(26-14)30-7-5-29(6-8-30)9-10-31)27-22-24-12-17(33-22)21-28-20-15(13-32-21)3-2-4-16(20)23/h2-4,11-12,31H,5-10,13H2,1H3,(H,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula	C22H24ClN7O2S
Molecular Weight	485.99
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 `Mon Mar 31 22:56:49 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:49 GMT 2025`
Record UNII	841PW2AE9X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DASATINIB METABOLITE M9

Preferred Name

English

2-(4-(6-((5-(8-CHLORO-4H-3,1-BENZOXAZIN-2-YL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ETHANOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

126961376

Created by admin on Mon Mar 31 22:56:49 GMT 2025 , Edited by admin on Mon Mar 31 22:56:49 GMT 2025

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SMS_ID

300000008021

Created by admin on Mon Mar 31 22:56:49 GMT 2025 , Edited by admin on Mon Mar 31 22:56:49 GMT 2025

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FDA UNII

841PW2AE9X

Created by admin on Mon Mar 31 22:56:49 GMT 2025 , Edited by admin on Mon Mar 31 22:56:49 GMT 2025

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CAS

1050203-84-3

Created by admin on Mon Mar 31 22:56:49 GMT 2025 , Edited by admin on Mon Mar 31 22:56:49 GMT 2025

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