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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

SMILES

CCS(=O)(=O)N1CC(CC(=O)OC)(C1)N2C=C(C=N2)C3=NC=NC4=C3C=CN4

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

Approval Year

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
Systematic Name English
Code System Code Type Description
CAS
2402776-80-9
Created by admin on Sat Dec 16 19:12:24 GMT 2023 , Edited by admin on Sat Dec 16 19:12:24 GMT 2023
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FDA UNII
KX97Q4UG34
Created by admin on Sat Dec 16 19:12:24 GMT 2023 , Edited by admin on Sat Dec 16 19:12:24 GMT 2023
PRIMARY
PUBCHEM
145706648
Created by admin on Sat Dec 16 19:12:24 GMT 2023 , Edited by admin on Sat Dec 16 19:12:24 GMT 2023
PRIMARY