Basic information
- Standard SMILES
CCCCOc1nc(N)c2nc(OC)n(CCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1- InChIKey
NBKSOJCTKFHUFU-UHFFFAOYSA-N- Molecular formula
- C22H36N6O4
- Average molar mass
- 448.6 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-{2-[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]ethyl}-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[2-(6-amino-2-butoxy-8-methoxypurin-9-yl)ethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1842681NBKSOJCTKFHUFU-UHFFFAOYSA-N1,1-Dimethylethyl 4-{2-[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]ethyl}-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 58306196
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 595
Related reactions
1 records
Compound notes
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