2-(4-(6-((5-((2-CHLORO-6-METHYL-PHENYL)CARBAMOYL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ACETIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H24ClN7O3S
Molecular Weight	501.989
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-(6-((5-((2-CHLORO-6-METHYL-PHENYL)CARBAMOYL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ACETIC ACID

Structure Search

SMILES

CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CCN(CC(O)=O)CC4

InChI

InChIKey=VMCDXJFWSYUNPO-UHFFFAOYSA-N

InChI=1S/C22H24ClN7O3S/c1-13-4-3-5-15(23)20(13)28-21(33)16-11-24-22(34-16)27-17-10-18(26-14(2)25-17)30-8-6-29(7-9-30)12-19(31)32/h3-5,10-11H,6-9,12H2,1-2H3,(H,28,33)(H,31,32)(H,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula	C22H24ClN7O3S
Molecular Weight	501.989
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 `Thu Jul 06 15:43:25 UTC 2023` Edited by `admin` on `Thu Jul 06 15:43:25 UTC 2023`
Record UNII	83FL89EU88
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(4-(6-((5-((2-CHLORO-6-METHYL-PHENYL)CARBAMOYL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ACETIC ACID

Systematic Name

English

DASATINIB METABOLITE M6

Common Name

English

1-PIPERAZINEACETIC ACID, 4-(6-((5-(((2-CHLORO-6-METHYLPHENYL)AMINO)CARBONYL)-2-THIAZOLYL)AMINO)-2-METHYL-4-PYRIMIDINYL)-

Common Name

English

BMS-573188

Code

English

Code System Code Type Description

PUBCHEM

11854012