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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N6S
Molecular Weight 322.388
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(3-Isothiazolyl)-2-[(3-methylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

SMILES

CC1=CC(CN2C=C3C(=N2)N=C(N=C3N)C4=NSC=C4)=CC=C1

InChI

InChIKey=XCADTDINRZIVIN-UHFFFAOYSA-N
InChI=1S/C16H14N6S/c1-10-3-2-4-11(7-10)8-22-9-12-14(17)18-16(19-15(12)20-22)13-5-6-23-21-13/h2-7,9H,8H2,1H3,(H2,17,18,19,20)

HIDE SMILES / InChI

Approval Year

Name Type Language
A2AR Antagonist EXS21546
Preferred Name English
6-(3-Isothiazolyl)-2-[(3-methylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
Systematic Name English
Adenosine receptor antagonist 3
Common Name English
2H-Pyrazolo[3,4-d]pyrimidin-4-amine, 6-(3-isothiazolyl)-2-[(3-methylphenyl)methyl]-
Systematic Name English
EXS21546
Common Name English
EXS-21546
Common Name English
Code System Code Type Description
PUBCHEM
146268692
Created by admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
PRIMARY
CAS
2400864-80-2
Created by admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
PRIMARY
NCI_THESAURUS
C179629
Created by admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
PRIMARY
FDA UNII
VDV8KB3JJB
Created by admin on Wed Apr 02 19:16:35 GMT 2025 , Edited by admin on Wed Apr 02 19:16:35 GMT 2025
PRIMARY