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Details

Stereochemistry ACHIRAL
Molecular Formula C22H31N7O3SSi
Molecular Weight 501.677
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(Ethylsulfonyl)-3-[4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl]-3-azetidineacetonitrile

SMILES

CCS(=O)(=O)N1CC(CC#N)(C1)N2C=C(C=N2)C3=C4C=CN(COCC[Si](C)(C)C)C4=NC=N3

InChI

InChIKey=WUWJJJDMZWZKQS-UHFFFAOYSA-N
InChI=1S/C22H31N7O3SSi/c1-5-33(30,31)28-14-22(15-28,7-8-23)29-13-18(12-26-29)20-19-6-9-27(21(19)25-16-24-20)17-32-10-11-34(2,3)4/h6,9,12-13,16H,5,7,10-11,14-15,17H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C22H31N7O3SSi
Molecular Weight 501.677
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 19:20:43 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:43 GMT 2023
Record UNII
Q32W8S3LS7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(Ethylsulfonyl)-3-[4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl]-3-azetidineacetonitrile
Systematic Name English
3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl]-
Systematic Name English
Code System Code Type Description
FDA UNII
Q32W8S3LS7
Created by admin on Sat Dec 16 19:20:43 GMT 2023 , Edited by admin on Sat Dec 16 19:20:43 GMT 2023
PRIMARY
CAS
1187594-13-3
Created by admin on Sat Dec 16 19:20:43 GMT 2023 , Edited by admin on Sat Dec 16 19:20:43 GMT 2023
PRIMARY
PUBCHEM
57868865
Created by admin on Sat Dec 16 19:20:43 GMT 2023 , Edited by admin on Sat Dec 16 19:20:43 GMT 2023
PRIMARY