Methyl 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H20N6O4S
Molecular Weight	404.443
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetate

Structure Search

SMILES

CCS(=O)(=O)N1CC(CC(=O)OC)(C1)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=VVULXZUNJSTDTG-UHFFFAOYSA-N

InChI=1S/C17H20N6O4S/c1-3-28(25,26)22-9-17(10-22,6-14(24)27-2)23-8-12(7-21-23)15-13-4-5-18-16(13)20-11-19-15/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula	C17H20N6O4S
Molecular Weight	404.443
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 `Wed Apr 02 14:02:08 GMT 2025` Edited by `admin` on `Wed Apr 02 14:02:08 GMT 2025`
Record UNII	KX97Q4UG34
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetate

Systematic Name

English

3-Azetidineacetic acid, 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-, methyl ester

Preferred Name

English

Code System Code Type Description

CAS

2402776-80-9

Created by admin on Wed Apr 02 14:02:08 GMT 2025 , Edited by admin on Wed Apr 02 14:02:08 GMT 2025

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FDA UNII

KX97Q4UG34

Created by admin on Wed Apr 02 14:02:08 GMT 2025 , Edited by admin on Wed Apr 02 14:02:08 GMT 2025

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PUBCHEM

145706648

Created by admin on Wed Apr 02 14:02:08 GMT 2025 , Edited by admin on Wed Apr 02 14:02:08 GMT 2025

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