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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10N4OS
Molecular Weight 258.299
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(BENZYLTHIO)-PURIN-2-OL

SMILES

O=C1NC(SCC2=CC=CC=C2)=C3N=CNC3=N1

InChI

InChIKey=XKLXGBRBFJZZOP-UHFFFAOYSA-N
InChI=1S/C12H10N4OS/c17-12-15-10-9(13-7-14-10)11(16-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C12H10N4OS
Molecular Weight 258.299
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 12:48:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:48:18 GMT 2023
Record UNII
2UX24NXQ6F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(BENZYLTHIO)-PURIN-2-OL
Systematic Name English
2H-PURIN-2-ONE, 3,7-DIHYDRO-6-((PHENYLMETHYL)THIO)-
Systematic Name English
1,3-DIHYDRO-6-((PHENYLMETHYL)THIO)-2H-PURIN-2-ONE
Systematic Name English
PURIN-2-OL, 6-(BENZYLTHIO)-
Systematic Name English
2H-PURIN-2-ONE, 1,3-DIHYDRO-6-((PHENYLMETHYL)THIO)-
Systematic Name English
NSC-17268
Code English
Code System Code Type Description
EPA CompTox
DTXSID40202864
Created by admin on Sat Dec 16 12:48:18 GMT 2023 , Edited by admin on Sat Dec 16 12:48:18 GMT 2023
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FDA UNII
2UX24NXQ6F
Created by admin on Sat Dec 16 12:48:18 GMT 2023 , Edited by admin on Sat Dec 16 12:48:18 GMT 2023
PRIMARY
NSC
17268
Created by admin on Sat Dec 16 12:48:18 GMT 2023 , Edited by admin on Sat Dec 16 12:48:18 GMT 2023
PRIMARY
CAS
5446-42-4
Created by admin on Sat Dec 16 12:48:18 GMT 2023 , Edited by admin on Sat Dec 16 12:48:18 GMT 2023
PRIMARY
PUBCHEM
95092
Created by admin on Sat Dec 16 12:48:18 GMT 2023 , Edited by admin on Sat Dec 16 12:48:18 GMT 2023
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