Basic information
- Standard SMILES
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)n(C)c2n1- InChIKey
BHXSZKLTWORWNB-UHFFFAOYSA-N- Molecular formula
- C28H38N8O2
- Average molar mass
- 518.7 g/mol
Names & identifiers
- Preferred name
- 2-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
- IUPAC
- 2-[1-[[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol
Names & synonyms
CHEMBL2171944SCHEMBL2674383BHXSZKLTWORWNB-UHFFFAOYSA-NBDBM503966282-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
Database identifiers
- PubChem CID
- 49834576
- ChEMBL
CHEMBL2171944
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 789
Related reactions
2 records
Compound notes
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