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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N4S
Molecular Weight 166.204
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine

SMILES

CSC1=NC=NC2=C1C=NN2

InChI

InChIKey=BLEJJILOVWBLBZ-UHFFFAOYSA-N
InChI=1S/C6H6N4S/c1-11-6-4-2-9-10-5(4)7-3-8-6/h2-3H,1H3,(H,7,8,9,10)

HIDE SMILES / InChI

Molecular Formula C6H6N4S
Molecular Weight 166.204
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 Tue Apr 01 19:05:22 GMT 2025
Edited
by admin
on Tue Apr 01 19:05:22 GMT 2025
Record UNII
JZ4UXQ8B8U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine
Systematic Name English
NSC-4938
Preferred Name English
NSC-4952
Code English
1H-Pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40202526
Created by admin on Tue Apr 01 19:05:22 GMT 2025 , Edited by admin on Tue Apr 01 19:05:22 GMT 2025
PRIMARY
NSC
4952
Created by admin on Tue Apr 01 19:05:22 GMT 2025 , Edited by admin on Tue Apr 01 19:05:22 GMT 2025
PRIMARY
NSC
4938
Created by admin on Tue Apr 01 19:05:22 GMT 2025 , Edited by admin on Tue Apr 01 19:05:22 GMT 2025
PRIMARY
CAS
5418-10-0
Created by admin on Tue Apr 01 19:05:22 GMT 2025 , Edited by admin on Tue Apr 01 19:05:22 GMT 2025
PRIMARY
FDA UNII
JZ4UXQ8B8U
Created by admin on Tue Apr 01 19:05:22 GMT 2025 , Edited by admin on Tue Apr 01 19:05:22 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-523-6
Created by admin on Tue Apr 01 19:05:22 GMT 2025 , Edited by admin on Tue Apr 01 19:05:22 GMT 2025
PRIMARY
PUBCHEM
79452
Created by admin on Tue Apr 01 19:05:22 GMT 2025 , Edited by admin on Tue Apr 01 19:05:22 GMT 2025
PRIMARY