Mercaptopurine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 187
Total Number of Articles : 533
PubChem 667490
Molecular Formula

C5H4N4S

SMILES

C1=NC2=C(N1)C(=S)N=CN2

InChI

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

synonyms
  • 6-Mercaptopurine
  • mercaptopurine
  • 50-44-2
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Properties
Property Value
MW 152.18 g/mol
HBD 2
HBA 2
Rotatable Bond Count 0
Exact Mass 152.01566732 g/mol
Monoisotopic Mass 152.01566732 g/mol
Heavy Atom Count 10
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 190
xlogp 0
Topological Polar Surface Area 85.2