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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6N4S
Molecular Weight 190.225
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(2-PROPYN-1-YLTHIO)-9H-PURINE

SMILES

C#CCSC1=NC=NC2=C1N=CN2

InChI

InChIKey=XUTFGQCVGBZCJL-UHFFFAOYSA-N
InChI=1S/C8H6N4S/c1-2-3-13-8-6-7(10-4-9-6)11-5-12-8/h1,4-5H,3H2,(H,9,10,11,12)

HIDE SMILES / InChI

Molecular Formula C8H6N4S
Molecular Weight 190.225
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 12:49:34 GMT 2023
Edited
by admin
on Sat Dec 16 12:49:34 GMT 2023
Record UNII
RDG2X72FAH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(2-PROPYN-1-YLTHIO)-9H-PURINE
Systematic Name English
PURINE, 6-(2-PROPYNYLTHIO)-
Systematic Name English
9H-PURINE, 6-(2-PROPYN-1-YLTHIO)-
Systematic Name English
1H-PURINE, 6-(2-PROPYNYLTHIO)-
Systematic Name English
NSC-22025
Code English
Code System Code Type Description
FDA UNII
RDG2X72FAH
Created by admin on Sat Dec 16 12:49:34 GMT 2023 , Edited by admin on Sat Dec 16 12:49:34 GMT 2023
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NSC
22025
Created by admin on Sat Dec 16 12:49:34 GMT 2023 , Edited by admin on Sat Dec 16 12:49:34 GMT 2023
PRIMARY
CAS
79515-86-9
Created by admin on Sat Dec 16 12:49:34 GMT 2023 , Edited by admin on Sat Dec 16 12:49:34 GMT 2023
PRIMARY
PUBCHEM
95176
Created by admin on Sat Dec 16 12:49:34 GMT 2023 , Edited by admin on Sat Dec 16 12:49:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID80229757
Created by admin on Sat Dec 16 12:49:34 GMT 2023 , Edited by admin on Sat Dec 16 12:49:34 GMT 2023
PRIMARY