Basic information
- Standard SMILES
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CNC3)n(C)c2n1- InChIKey
GBHFLOBSZKAIBE-UHFFFAOYSA-N- Molecular formula
- C22H26N8O
- Average molar mass
- 418.5 g/mol
Names & identifiers
- Preferred name
- 8-Azetidin-3-ylmethyl-2-(2-methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine
- IUPAC
- 4-[8-(azetidin-3-ylmethyl)-9-methyl-2-(2-methylbenzimidazol-1-yl)purin-6-yl]morpholine
Names & synonyms
SCHEMBL2673139GBHFLOBSZKAIBE-UHFFFAOYSA-N8-Azetidin-3-ylmethyl-2-(2-methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine4-(8-(azetidin-3-ylmethyl)-9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9H-purin-6-yl)morpholine
Database identifiers
- PubChem CID
- 59605459
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 629
Related reactions
17 records
Compound notes
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