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Details

Stereochemistry ACHIRAL
Molecular Formula C5H4N4OS
Molecular Weight 168.176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-MERCAPTOPURINE-3-N-OXIDE

SMILES

[O-][N+]1=CNC(=S)C2=C1NC=N2

InChI

InChIKey=ICTLMLWIYODPNV-UHFFFAOYSA-N
InChI=1S/C5H4N4OS/c10-9-2-8-5(11)3-4(9)7-1-6-3/h1-2H,(H,6,7)(H,8,11)

HIDE SMILES / InChI

Molecular Formula C5H4N4OS
Molecular Weight 168.176
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 Fri Dec 15 15:02:51 GMT 2023
Edited
by admin
on Fri Dec 15 15:02:51 GMT 2023
Record UNII
6VHR658170
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-MERCAPTOPURINE-3-N-OXIDE
Common Name English
6H-PURINE-6-THIONE, 1,2,3,9-TETRAHYDRO-, 3-OXIDE
Systematic Name English
PURIN-6-THIOL, 3-N-OXIDE
Common Name English
NSC-528013
Code English
MERCAPTOPURINE-3-N-OXIDE
Common Name English
6-MERCAPTOPURINE 3-OXIDE
Systematic Name English
Code System Code Type Description
NSC
528013
Created by admin on Fri Dec 15 15:02:51 GMT 2023 , Edited by admin on Fri Dec 15 15:02:51 GMT 2023
PRIMARY
CAS
145-95-9
Created by admin on Fri Dec 15 15:02:51 GMT 2023 , Edited by admin on Fri Dec 15 15:02:51 GMT 2023
PRIMARY
FDA UNII
6VHR658170
Created by admin on Fri Dec 15 15:02:51 GMT 2023 , Edited by admin on Fri Dec 15 15:02:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID90932467
Created by admin on Fri Dec 15 15:02:51 GMT 2023 , Edited by admin on Fri Dec 15 15:02:51 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY