Basic information
- CAS
91495-43-1- Standard SMILES
CCCn1cnc2c(Sc3c([N+](=O)[O-])ncn3C)nc(N)nc21- InChIKey
JNJGQBBQHDKNMN-UHFFFAOYSA-N- Molecular formula
- C12H14N8O2S
- Average molar mass
- 334.36 g/mol
- Monoisotopic mass
- 334.09604289
Names & identifiers
- Preferred name
- 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-propyl-9H-purin-2-amine
- IUPAC
- 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-9-propylpurin-2-amine
Names & synonyms
91495-43-1MLS0026086356-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9-propyl-9H-purin-2-amineHMS3091K10NSC44584CHEMBL1864532DTXSID00286286NSC-445846-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9-propyl-9h-purin-2-amineSMR001527381
Database identifiers
- CAS
91495-43-1- PubChem CID
- 239490
- DTXSID
DTXSID00286286- ChEMBL
CHEMBL1864532
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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