Mercaptopurine

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Systematic / IUPAC Name: 7H-Purine-6-thiol

ID: Reference8296

Other Names: 6-Mercaptoadenine;
6-Mercaptopurin;
6-Thiohypoxanthine;
9H-Purin-6-yl hydrosulfide;
Hypoxanthine, thio- ; more

Formula: C5H4N4S

Spectral Data

Mercaptopurine 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 148
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2018 6:45:00 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChI Key GLVAUDGFNGKCSF-UHFFFAOYSA-N
Canonical SMILES C1=NC2=C(N1)C(=S)N=CN2
CAS 50442
Splash
Other Names 6-Mercaptoadenine;
6-Mercaptopurin;
6-Thiohypoxanthine;
9H-Purin-6-yl hydrosulfide;
Hypoxanthine, thio-;
Ismipur;
Leukerin;
Leupurin;
Mercaleukim;
Mercaleukin;
Mercaptopurin;
Mercaptopurina;
Mercaptopurina wellcome;
Mercaptopurinum;
Mercapurin;
Merkaptopuryna;
Mern;
Purimethol;
Thiohypoxanthine;
1,7-Dihydro-6H-purine-6-thione;
1,9-Dihydro-6H-purine-6-thione;
1,9-Dihydropurine-6-thione;
1H-Purine, 6-mercapto-;
3,7-Dihydro-6H-purine-6-thione;
3,7-Dihydropurine-6-thione;
3H-Purine-6-thiol;
6 Mercaptopurine monohydrate;
6,7-Dihydro-3H-purine-6-thione;
6H-Purine-6-thione, 1,7-dihydro-;
6-Mercaptopurine;
6-Purinethiol;
6-Thiopurine;
6-Thioxopurine;
7-Mercapto-1,3,4,6-tetrazaindene;
9H-Purine-6(1H)-thione;
9H-Purine-6-thiol;
H-Purine-6(1H)-thione;
Mercaptopurine (6-MP);
Mercaptopurine (van);
Mercaptopurine anhydrous;
Mercaptopurine, 6-;
Purine antimetabolite: inhibits nucleic acid replication;
Purine, 6-mercapto-;
Purine-6(1H)-thione;
Purine-6-thiol;
Purinethiol;
Purinethol;
Purinethol;6-mercaptopurine;6-MP;
Thiopurine

In Other Databases

Wikipedia Mercaptopurine
ChEMBL CHEMBL1425
ChemIDPlus 000050442; 001194623; 007487936; 066626128; 50442
DrugBank DB01033; BI9878; DB01033
PubChem 667490
ChEBI CHEBI:2208; CHEBI:50667; CHEBI:94796
HMDb HMDB15167
ChemSpider 580869
KEGG C01756; C02380; D04931