6-(benzylsulfanyl)-9-cyclohexyl-9H-purin-2-amine
Basic information
- CAS
93996-67-9- Standard SMILES
Nc1nc(SCc2ccccc2)c2ncn(C3CCCCC3)c2n1- InChIKey
LUERHNAEJNCQPX-UHFFFAOYSA-N- Molecular formula
- C18H21N5S
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15176686
Names & identifiers
- Preferred name
- 6-(benzylsulfanyl)-9-cyclohexyl-9H-purin-2-amine
- IUPAC
- 6-benzylsulfanyl-9-cyclohexylpurin-2-amine
Names & synonyms
93996-67-9MLS0026678196-(Benzylthio)-9-cyclohexyl-9H-purin-2-amineNSC564536-(benzylsulfanyl)-9-cyclohexyl-9H-purin-2-amineCHEMBL1710469DTXSID30288536HMS3079L04NSC-56453SMR001557577
Database identifiers
- CAS
93996-67-9- PubChem CID
- 244997
- DTXSID
DTXSID30288536- ChEMBL
CHEMBL1710469
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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