Basic information
- CAS
15923-49-6- Standard SMILES
CCCCn1cnc2c(SC3CCCC3)ncnc21- InChIKey
LUDYBLLLMIXVKJ-UHFFFAOYSA-N- Molecular formula
- C14H20N4S
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.14086783
Names & identifiers
- Preferred name
- 9-Butyl-6-cyclopentylsulfanylpurine
- IUPAC
- 9-butyl-6-cyclopentylsulfanylpurine
Names & synonyms
15923-49-69-Butyl-6-(cyclopentylthio)-9H-purine9-butyl-6-cyclopentylsulfanylpurine9-butyl-6-(cyclopentylsulfanyl)-9h-purineNSC831159H-Purine, 9-butyl-6-(cyclopentylthio)DTXSID90292477NSC-83115
Database identifiers
- CAS
15923-49-6- PubChem CID
- 256334
- DTXSID
DTXSID90292477
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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