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Details

Stereochemistry ACHIRAL
Molecular Formula C6H3N5S
Molecular Weight 177.187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-THIOCYANATOPURINE

SMILES

N#CSC1=NC=NC2=C1N=CN2

InChI

InChIKey=GBTKKUANKIRQOM-UHFFFAOYSA-N
InChI=1S/C6H3N5S/c7-1-12-6-4-5(9-2-8-4)10-3-11-6/h2-3H,(H,8,9,10,11)

HIDE SMILES / InChI

Molecular Formula C6H3N5S
Molecular Weight 177.187
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 12:49:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:49:16 GMT 2023
Record UNII
KXA182VHR5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-THIOCYANATOPURINE
Systematic Name English
THIOCYANIC ACID, 9H-PURIN-6-YL ESTER
Systematic Name English
THIOCYANIC ACID, 1H-PURIN-6-YL ESTER
Common Name English
THIOCYANIC ACID, PURIN-6-YL ESTER
Systematic Name English
NSC-58385
Code English
PURINE, 6-THIOCYANATO-
Systematic Name English
Code System Code Type Description
PUBCHEM
96185
Created by admin on Sat Dec 16 12:49:16 GMT 2023 , Edited by admin on Sat Dec 16 12:49:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID70173078
Created by admin on Sat Dec 16 12:49:16 GMT 2023 , Edited by admin on Sat Dec 16 12:49:16 GMT 2023
PRIMARY
NSC
58385
Created by admin on Sat Dec 16 12:49:16 GMT 2023 , Edited by admin on Sat Dec 16 12:49:16 GMT 2023
PRIMARY
CAS
19447-73-5
Created by admin on Sat Dec 16 12:49:16 GMT 2023 , Edited by admin on Sat Dec 16 12:49:16 GMT 2023
PRIMARY
FDA UNII
KXA182VHR5
Created by admin on Sat Dec 16 12:49:16 GMT 2023 , Edited by admin on Sat Dec 16 12:49:16 GMT 2023
PRIMARY