Basic information
- Standard SMILES
CCC[C@H](C)Oc1nc(N)c2nc(OC)n(CCCNCC3CCCO3)c2n1- InChIKey
RJMLWJUJDUHXQH-LSLKUGRBSA-N- Molecular formula
- C19H32N6O3
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- 2-{[(1S)-1-methylbutyl]oxy}-8-(methyloxy)-9-{3-[(tetrahydro-2-furanylmethyl)amino]propyl}-9H-purin-6-amine
- IUPAC
- 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine
Names & synonyms
SCHEMBL1919565RJMLWJUJDUHXQH-LSLKUGRBSA-N2-{[(1S)-1-methylbutyl]oxy}-8-(methyloxy)-9-{3-[(tetrahydro-2-furanylmethyl)amino]propyl}-9H-purin-6-amine
Database identifiers
- PubChem CID
- 67211502
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 459
Related reactions
2 records
Compound notes
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