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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10N4S
Molecular Weight 242.3
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(Benzylthio)purine

SMILES

C(SC1=C2NC=NC2=NC=N1)C3=CC=CC=C3

InChI

InChIKey=ULIQGBPQLPCTAJ-UHFFFAOYSA-N
InChI=1S/C12H10N4S/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)

HIDE SMILES / InChI

Molecular Formula C12H10N4S
Molecular Weight 242.3
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 Mon Mar 31 22:49:39 GMT 2025
Edited
by admin
on Mon Mar 31 22:49:39 GMT 2025
Record UNII
9G472X6RFB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-29421
Preferred Name English
6-(Benzylthio)purine
Systematic Name English
Purine, 6-(benzylthio)-
Systematic Name English
9H-Purine, 6-[(phenylmethyl)thio]-
Systematic Name English
1H-Purine, 6-[(phenylmethyl)thio]-
Systematic Name English
6-[(Phenylmethyl)thio]-9H-purine
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
211-965-4
Created by admin on Mon Mar 31 22:49:39 GMT 2025 , Edited by admin on Mon Mar 31 22:49:39 GMT 2025
PRIMARY
FDA UNII
9G472X6RFB
Created by admin on Mon Mar 31 22:49:39 GMT 2025 , Edited by admin on Mon Mar 31 22:49:39 GMT 2025
PRIMARY
PUBCHEM
93558
Created by admin on Mon Mar 31 22:49:39 GMT 2025 , Edited by admin on Mon Mar 31 22:49:39 GMT 2025
PRIMARY
NSC
29421
Created by admin on Mon Mar 31 22:49:39 GMT 2025 , Edited by admin on Mon Mar 31 22:49:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID30222697
Created by admin on Mon Mar 31 22:49:39 GMT 2025 , Edited by admin on Mon Mar 31 22:49:39 GMT 2025
PRIMARY
CAS
724-34-5
Created by admin on Mon Mar 31 22:49:39 GMT 2025 , Edited by admin on Mon Mar 31 22:49:39 GMT 2025
PRIMARY