Azathioprine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 476
Total Number of Articles : 920
PubChem 2265
Molecular Formula

C9H7N7O2S

SMILES

CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)

synonyms
  • azathioprine
  • 446-86-6
  • Imuran
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Properties
Property Value
MW 277.27 g/mol
HBD 1
HBA 7
Rotatable Bond Count 2
Exact Mass 277.03819367 g/mol
Monoisotopic Mass 277.03819367 g/mol
Heavy Atom Count 19
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 354
xlogp 0.1
Topological Polar Surface Area 143