Basic information
- CAS
37154-81-7- Standard SMILES
CSc1ncnc2c1ncn2-n1c(C)ccc1C- InChIKey
HCNZRXFJOIZENL-UHFFFAOYSA-N- Molecular formula
- C12H13N5S
- Average molar mass
- 259.33 g/mol
- Monoisotopic mass
- 259.08916661
Names & identifiers
- Preferred name
- 9-(2,5-Dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purine
- IUPAC
- 9-(2,5-dimethylpyrrol-1-yl)-6-methylsulfanylpurine
Names & synonyms
37154-81-79-(2,5-Dimethyl-1H-pyrrol-1-yl)-6-(methylthio)-9H-purine9-(2,5-dimethyl-1h-pyrrol-1-yl)-6-(methylsulfanyl)-9h-purineNSC143663DTXSID403014829H-Purine,9-(2,5-dimethyl-1H-pyrrol-1-yl)-6-(methylthio)-NSC-143663DS-006193
Database identifiers
- CAS
37154-81-7- PubChem CID
- 285993
- DTXSID
DTXSID40301482
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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