Molecular properties
- Formula
- C9H7N7O2S
- Molar mass
- 277.27 g·mol−1
- Exact mass
- 277.0382 Da
- 10
- PubChem CID
- 2265
Molecule record
6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
C9H7N7O2S
277.27 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Nitro compound
Sulfide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 446-86-6
- 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine
- 6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine
- 6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine
- 6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine
- 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine
- Azamun
- Azamune
Show all 24 synonyms
- Azanin
- Azasan
- Azathioprin
- Azathioprinum
- Azatioprin
- Azatioprina
- Azothioprine
- BW 57-322
- Ccucol
- DTXSID4020119
- Imurek
- Methylnitroimidazolylmercaptopurine
- Muran
- NCI-C03474
- NSC-39084
- azathioprine
Structure identifiers
- Canonical SMILES
- Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12
- Isomeric 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)
- InChIKey
- LMEKQMALGUDUQG-UHFFFAOYSA-N
- PubChem CID
- 2265
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.