2,8-Dimercapto-6-hydroxypurine

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Systematic / IUPAC Name: 2,8-Dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one

ID: Reference3269

Other Names: 1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one;
2,8-Dithioxo-7,9-dihydro-3H-purin-6-one;
2,8-Mercaptohypoxanthine;
6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-2,8-dithioxo-;
Uric acid, 2,8-dithio- ; more

Formula: C5H4N4OS2

Spectral Data

2,8-Dimercapto-6-hydroxypurine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/6/2015 11:15:57 AM
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Identificators

InChI InChI=1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChI Key NDSUZZIWNBVBKW-UHFFFAOYSA-N
Canonical SMILES C12=C(NC(=S)N1)NC(=S)NC2=O
CAS 15986320
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Other Names 1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one;
2,8-Dithioxo-7,9-dihydro-3H-purin-6-one;
2,8-Mercaptohypoxanthine;
6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-2,8-dithioxo-;
Uric acid, 2,8-dithio-;
2,8-Disulfanylpurin-6-ol;
2,8-Dithio-6-hydroxypurine;
2,8-Dithio-6-oxypurine;
6-Hydroxy-2-mercapto-7,9-dihydro-8H-purine-8-thione;
Dithio-6-oxypurine;
Purine-6-ol, 2,8-dimercapto-

In Other Databases

PubChem 2366465
ChemIDPlus 015986320
ChEMBL CHEMBL1416049
ChemSpider 1767791