Basic information
- Standard SMILES
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C(C)(C)CO)CC3)n(C)c2n1- InChIKey
KCERTJAFAUYZGN-UHFFFAOYSA-N- Molecular formula
- C27H37N9O2
- Average molar mass
- 519.6 g/mol
Names & identifiers
- Preferred name
- 2-methyl-2-(4-((9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)propan-1-ol
- IUPAC
- 2-methyl-2-[4-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperazin-1-yl]propan-1-ol
Names & synonyms
SCHEMBL2673504KCERTJAFAUYZGN-UHFFFAOYSA-N2-methyl-2-(4-((9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)propan-1-ol
Database identifiers
- PubChem CID
- 59605697
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 791
Related reactions
3 records
Compound notes
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