Compound Summary
Compound Information
azathioprine
Compound Name: | azathioprine |
Compound CID: | 2265 |
Synonyms: | azathioprine |
Iupac Name: | 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine |
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) |
InChIKey: | LMEKQMALGUDUQG-UHFFFAOYSA-N |
Canonical Smiles: | CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] |
Isomeric Smiles: | CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] |
Molecular Weight: | 277.27 |
Molecular Formula: | C9H7N7O2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
azathioprine
Molecular Weight: | 277.27 |
Molecular Formula: | C9H7N7O2S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 19 |
Complexity: | 354 |
Synonyms
azathioprine
Experimental Data
azathioprine
Experimental Data Visualization
azathioprine
Statistics Data
azathioprine
Statistics Data Visualization
azathioprine
