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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19N7O3S
Molecular Weight 401.443
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(Ethylsulfonyl)-3-[4-[7-(hydroxymethyl)-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(CO)C4=NC=N3

InChI

InChIKey=NZPUQTXPUDSOEF-UHFFFAOYSA-N
InChI=1S/C17H19N7O3S/c1-2-28(26,27)23-9-17(10-23,4-5-18)24-8-13(7-21-24)15-14-3-6-22(12-25)16(14)20-11-19-15/h3,6-8,11,25H,2,4,9-10,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H19N7O3S
Molecular Weight 401.443
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 Sat Dec 16 19:21:43 GMT 2023
Edited
by admin
on Sat Dec 16 19:21:43 GMT 2023
Record UNII
LMR45Q4CV8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(Ethylsulfonyl)-3-[4-[7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl]-3-azetidineacetonitrile
Systematic Name English
3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-[7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
57868848
Created by admin on Sat Dec 16 19:21:43 GMT 2023 , Edited by admin on Sat Dec 16 19:21:43 GMT 2023
PRIMARY
CAS
1187595-89-6
Created by admin on Sat Dec 16 19:21:43 GMT 2023 , Edited by admin on Sat Dec 16 19:21:43 GMT 2023
PRIMARY
FDA UNII
LMR45Q4CV8
Created by admin on Sat Dec 16 19:21:43 GMT 2023 , Edited by admin on Sat Dec 16 19:21:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID301106765
Created by admin on Sat Dec 16 19:21:43 GMT 2023 , Edited by admin on Sat Dec 16 19:21:43 GMT 2023
PRIMARY