Basic information
- Standard SMILES
CCCC(C)Oc1nc(N)c2nc(OC)n(CCCCCNC3CCOCC3)c2n1- InChIKey
DYWSSWUCADLFAS-UHFFFAOYSA-N- Molecular formula
- C21H36N6O3
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.28488903
Names & identifiers
- Preferred name
- 8-Methoxy-9-[5-(oxan-4-ylamino)pentyl]-2-pentan-2-yloxypurin-6-amine
- IUPAC
- 8-methoxy-9-[5-(oxan-4-ylamino)pentyl]-2-pentan-2-yloxypurin-6-amine
Database identifiers
- PubChem CID
- 77243606
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 482
Related reactions
2 records
Compound notes
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