6-(Methylthio)purine

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Systematic / IUPAC Name: 6-(Methylsulfanyl)-9H-purine

ID: Reference1201

Other Names: 6-Methylthiopurine;
Purine, 6-(methylthio)-;
1H-Purine, 6-(methylthio)-;
S-Methyl-6-mercaptopurine;
6-(Methylthio)-9H-purine

Formula: C6H6N4S

Class: Therapeutics/Prescription Drugs

Spectral Data

6-(Methylthio)purine 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 Orbitrap Elite; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 5
No. of Spectra 609
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI; NSI
Analyzers IT; FT
Last Modification 3/16/2016 10:45:59 AM
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Identificators

InChI InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChI Key UIJIQXGRFSPYQW-UHFFFAOYSA-N
Canonical SMILES CSC1=NC=NC2=C1NC=N2
CAS 50668
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Other Names 6-Methylthiopurine;
Purine, 6-(methylthio)-;
1H-Purine, 6-(methylthio)-;
S-Methyl-6-mercaptopurine;
6-(Methylthio)-9H-purine;
Thiopurine S-methylether

In Other Databases

ChEMBL CHEMBL1178
ChemSpider 5574
HMDb HMDB60412
ChEBI CHEBI:28279
KEGG C03542; C16614
ChemIDPlus 000050668
PubChem 5778