Basic information
- CAS
36892-43-0- Standard SMILES
CC(C)Cn1cnc2c(Sc3c([N+](=O)[O-])ncn3C)nc(N)nc21- InChIKey
SEIMKLNUEAPZHV-UHFFFAOYSA-N- Molecular formula
- C13H16N8O2S
- Average molar mass
- 348.39 g/mol
- Monoisotopic mass
- 348.11169296
Names & identifiers
- Preferred name
- 9H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9-(2-methylpropyl)-
- IUPAC
- 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-9-(2-methylpropyl)purin-2-amine
- English name
- 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(2-methylpropyl)purin-2-a mine
- Molecular formula
- C13H16N8O2S
- Molecular weight
- 0
Names & synonyms
36892-43-0NSC44585MLS0026086369-Isobutyl-6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-9H-purin-2-amineNSC-44585PC 2989-Isobutylguaneran6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-9-(2-methylpropyl)-9h-purin-2-amine9H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9-(2-methylpropyl)-CHEMBL1710498DTXSID60286287HMS3091E04
Show more names
6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(2-methylpropyl)purin-2-a mine
NCI44585CCG-36776NCGC00013534ZINC03954001NCGC00013534-02NCGC00096647-01NCI60_004028SMR001527382
Database identifiers
- CAS
36892-43-0- PubChem CID
- 239491
- DTXSID
DTXSID60286287- ChEMBL
CHEMBL1710498
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 464
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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