2-(4-AMINO-6-(1-(3-(CYANOMETHYL)-1-(ETHYLSULFONYL)AZETIDIN-3-YL)-1H-PYRAZOL-4-YL)PYRIMIDIN-5-YL)ACETIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H19N7O4S
Molecular Weight	405.432
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-AMINO-6-(1-(3-(CYANOMETHYL)-1-(ETHYLSULFONYL)AZETIDIN-3-YL)-1H-PYRAZOL-4-YL)PYRIMIDIN-5-YL)ACETIC ACID

Structure Search

SMILES

CCS(=O)(=O)N1CC(CC#N)(C1)N2C=C(C=N2)C3=C(CC(O)=O)C(N)=NC=N3

InChI

InChIKey=SZDJWVXADWYSTD-UHFFFAOYSA-N

InChI=1S/C16H19N7O4S/c1-2-28(26,27)22-8-16(9-22,3-4-17)23-7-11(6-21-23)14-12(5-13(24)25)15(18)20-10-19-14/h6-7,10H,2-3,5,8-9H2,1H3,(H,24,25)(H2,18,19,20)

HIDE SMILES / InChI

Molecular Formula	C16H19N7O4S
Molecular Weight	405.432
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 15:41:33 UTC 2023` Edited by `admin` on `Sat Dec 16 15:41:33 UTC 2023`
Record UNII	PC4Y9UB4UF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(4-AMINO-6-(1-(3-(CYANOMETHYL)-1-(ETHYLSULFONYL)AZETIDIN-3-YL)-1H-PYRAZOL-4-YL)PYRIMIDIN-5-YL)ACETIC ACID

Common Name

English

LY3009104 METABOLITE M5

Common Name

English

BARICITINIB METABOLITE M5

Common Name

English

LY-3009104 M5 METABOLITE

Common Name

English

Code System Code Type Description

PUBCHEM

156596842

Created by admin on Sat Dec 16 15:41:33 UTC 2023 , Edited by admin on Sat Dec 16 15:41:33 UTC 2023

PRIMARY

FDA UNII

PC4Y9UB4UF

Created by admin on Sat Dec 16 15:41:33 UTC 2023 , Edited by admin on Sat Dec 16 15:41:33 UTC 2023

PRIMARY

Related Record Type Details


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BARICITINIB

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