6-Amino-2-(butyloxy)-9-{4-[1-(3-methylbutyl)-3-piperidinyl]butyl}-7,9-dihydro-8H-purin-8-one
Basic information
- Standard SMILES
CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCCN(CCC(C)C)C3)c2n1- InChIKey
XIVAUXDNNYOOEA-UHFFFAOYSA-N- Molecular formula
- C23H40N6O2
- Average molar mass
- 432.6 g/mol
Names & identifiers
- Preferred name
- 6-Amino-2-(butyloxy)-9-{4-[1-(3-methylbutyl)-3-piperidinyl]butyl}-7,9-dihydro-8H-purin-8-one
- IUPAC
- 6-amino-2-butoxy-9-[4-[1-(3-methylbutyl)piperidin-3-yl]butyl]-7H-purin-8-one
Names & synonyms
SCHEMBL1976159XIVAUXDNNYOOEA-UHFFFAOYSA-N6-Amino-2-(butyloxy)-9-{4-[1-(3-methylbutyl)-3-piperidinyl]butyl}-7,9-dihydro-8H-purin-8-one
Database identifiers
- PubChem CID
- 67234331
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 548
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…