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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 2-THIOXANTHINE

SMILES

O=C1NC(=S)NC2=C1NC=N2

InChI

InChIKey=XNHFAGRBSMMFKL-UHFFFAOYSA-N
InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

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

PubMed

PubMed

TitleDatePubMed
Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii.
1995 Nov 9
Inhibition of DNA repair glycosylases by base analogs and tryptophan pyrolysate, Trp-P-1.
2005
Nature and position of functional group on thiopurine substrates influence activity of xanthine oxidase--enzymatic reaction pathways of 6-mercaptopurine and 2-mercaptopurine are different.
2007 Feb
Cysteine-scanning analysis of putative helix XII in the YgfO xanthine permease: ILE-432 and ASN-430 are important.
2008 May 16
An ab initio and AIM investigation into the hydration of 2-thioxanthine.
2010 Mar 23
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:57:45 GMT 2023
Edited
by admin
on Fri Dec 15 15:57:45 GMT 2023
Record UNII
PL0PPI1U9A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-THIOXANTHINE
Systematic Name English
NSC-36822
Code English
2-THIO-6-OXOPURINE
Common Name English
NSC-680828
Code English
2-MERCAPTOHYPOXANTHINE
Systematic Name English
Code System Code Type Description
FDA UNII
PL0PPI1U9A
Created by admin on Fri Dec 15 15:57:45 GMT 2023 , Edited by admin on Fri Dec 15 15:57:45 GMT 2023
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NSC
36822
Created by admin on Fri Dec 15 15:57:45 GMT 2023 , Edited by admin on Fri Dec 15 15:57:45 GMT 2023
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EPA CompTox
DTXSID7062459
Created by admin on Fri Dec 15 15:57:45 GMT 2023 , Edited by admin on Fri Dec 15 15:57:45 GMT 2023
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ECHA (EC/EINECS)
219-636-7
Created by admin on Fri Dec 15 15:57:45 GMT 2023 , Edited by admin on Fri Dec 15 15:57:45 GMT 2023
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NSC
680828
Created by admin on Fri Dec 15 15:57:45 GMT 2023 , Edited by admin on Fri Dec 15 15:57:45 GMT 2023
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PUBCHEM
1268185
Created by admin on Fri Dec 15 15:57:45 GMT 2023 , Edited by admin on Fri Dec 15 15:57:45 GMT 2023
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CAS
2487-40-3
Created by admin on Fri Dec 15 15:57:45 GMT 2023 , Edited by admin on Fri Dec 15 15:57:45 GMT 2023
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