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mercaptopurine hydrate

Go to external page http://purl.obolibrary.org/obo/CHEBI_31822

Term info

Label

mercaptopurine hydrate

Synonyms
  • 1,7-dihydro-6H-purine-6-thione--water (1/1)
  • Mercaptopurine hydrate
database cross reference
Subsets

3_STAR

IUPAC NAME
1,7-dihydro-6H-purine-6-thione--water (1/1) [ IUPAC ]

charge

0

formula

C5H4N4S.H2O, C5H6N4OS

has obo namespace

chebi_ontology

has related synonym

1,7-dihydro-6H-purine-6-thione hydrate, 1,7-dihydro-6H-purine-6-thione monohydrate, 6-Mercaptopurine hydrate, 6-Mercaptopurine monohydrate, mercaptopurine monohydrate

id

CHEBI:31822

inchi

InChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2

inchikey

WFFQYWAAEWLHJC-UHFFFAOYSA-N

mass

170.19350

monoisotopicmass

170.02623

smiles

O.S=c1[nH]cnc2nc[nH]c12

Term relations

Subclass of: