CAS Registry Number®
6112-76-1
CAS Name
6-Mercaptopurine monohydrate
Molecular Formula
C5H4N4S.H2O
Compound Properties
-
Melting Point (1)
313-315 °C (decomp)
Source(s)
- (1) Bendich, Aaron; Journal of the American Chemical Society, (1954), 76, 6073-7, CAplus
Other Names and Identifiers
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
InChIKey=WFFQYWAAEWLHJC-UHFFFAOYSA-N
SMILES
S=C1C2=C(NC=N1)N=CN2.O
Canonical SMILES
S=C1N=CNC=2N=CNC12.O
Other Names for this Substance
- 6H-Purine-6-thione, 1,2,3,9-tetrahydro-, hydrate (1:1)
- Purine-6-thiol, monohydrate
- 6H-Purine-6-thione, 1,7-dihydro-, monohydrate
- 6-Mercaptopurine monohydrate
- 9H-Purine-6-thiol hydrate
- Xaluprine
