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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17N7O4S
Molecular Weight 391.405
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-AMINO-6-(1-(3-(CYANOMETHYL)-1-ETHYLSULFONYL-AZETIDIN-3-YL)PYRAZOL-4-YL)PYRIMIDINE-5-CARBOXYLIC ACID

SMILES

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

InChI

InChIKey=KBSUJVBJYAITIL-UHFFFAOYSA-N
InChI=1S/C15H17N7O4S/c1-2-27(25,26)21-7-15(8-21,3-4-16)22-6-10(5-20-22)12-11(14(23)24)13(17)19-9-18-12/h5-6,9H,2-3,7-8H2,1H3,(H,23,24)(H2,17,18,19)

HIDE SMILES / InChI

Molecular Formula C15H17N7O4S
Molecular Weight 391.405
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 15:31:19 UTC 2023
Edited
by admin
on Sat Dec 16 15:31:19 UTC 2023
Record UNII
J63UPD4QSA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-AMINO-6-(1-(3-(CYANOMETHYL)-1-ETHYLSULFONYL-AZETIDIN-3-YL)PYRAZOL-4-YL)PYRIMIDINE-5-CARBOXYLIC ACID
Systematic Name English
LY3009104 METABOLITE M12
Common Name English
BARICITINIB METABOLITE M12
Common Name English
LY-3009104 M12 METABOLITE
Common Name English
Code System Code Type Description
PUBCHEM
156596930
Created by admin on Sat Dec 16 15:31:19 UTC 2023 , Edited by admin on Sat Dec 16 15:31:19 UTC 2023
PRIMARY
FDA UNII
J63UPD4QSA
Created by admin on Sat Dec 16 15:31:19 UTC 2023 , Edited by admin on Sat Dec 16 15:31:19 UTC 2023
PRIMARY
Related Record Type Details
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