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mercaptopurine hydrate

PropertiesImage
MNX_IDMNXM157811 Image of MNXM157811
referencechebi:31822
formulaC5H6N4OS
global charge0
mol weight170.197
InChIKeyWFFQYWAAEWLHJC-UHFFFAOYSA-N
InChIInChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2
SMILESO.S=C1NC=NC2=C1NC=N2
MNX internals
InChI (mnx)InChI=1/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2 Image of MNXM157811
SMILES (mnx)[CH:1]1=[N:6][C:3]2=[C:4]([NH:7]1)[N:8]=[CH:2][N:9]=[C:5]2[SH:10].[OH2:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31822
chebi:31822
WFFQYWAAEWLHJC-UHFFFAOYSA-N 		mercaptopurine hydrate
1,7-dihydro-6H-purine-6-thione hydrate
1,7-dihydro-6H-purine-6-thione monohydrate
1,7-dihydro-6H-purine-6-thione--water (1/1)
6-Mercaptopurine hydrate
6-Mercaptopurine monohydrate
Mercaptopurine hydrate
mercaptopurine monohydrate

sabiork.compound:6175
sabiorkM:6175
WFFQYWAAEWLHJC-UHFFFAOYSA-N 		6-Mercaptopurine
6-Mercaptopurine monohydrate

kegg.drug:D00161
keggD:D00161
WFFQYWAAEWLHJC-UHFFFAOYSA-N 		Mercaptopurine (USP)
Mercaptopurine hydrate (JP18)
Purinethol (TN)
Purixan (TN)

keggD:M_D00161 		secondary/obsolete/fantasy identifier