9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione
Basic information
- CAS
7595-45-1- Standard SMILES
CCn1c(=S)n(CN2CCCCC2)c2cncnc21- InChIKey
XLDHEKHESOOWDV-UHFFFAOYSA-N- Molecular formula
- C13H19N5S
- Average molar mass
- 277.39 g/mol
- Monoisotopic mass
- 277.1361168
Names & identifiers
- Preferred name
- 9-Ethyl-7-(piperidin-1-ylmethyl)purine-8-thione
- IUPAC
- 9-ethyl-7-(piperidin-1-ylmethyl)purine-8-thione
Names & synonyms
7595-45-19-ethyl-7-(piperidin-1-ylmethyl)purine-8-thioneNSC407748DTXSID80324817NSC-4077489-Ethyl-7-[(piperidin-1-yl)methyl]-7,9-dihydro-8H-purine-8-thione
Database identifiers
- CAS
7595-45-1- PubChem CID
- 348452
- DTXSID
DTXSID80324817
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…