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Basic information
- Standard SMILES
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC(N4CCOCC4)C3)n(C)c2n1- InChIKey
SZOKAGHEGVBJFP-UHFFFAOYSA-N- Molecular formula
- C27H35N9O2
- Average molar mass
- 517.6 g/mol
- Monoisotopic mass
- 517.29137139
Names & identifiers
- Preferred name
- 4-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-3-yl)morpholine
- IUPAC
- 4-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-8-[(3-morpholin-4-ylazetidin-1-yl)methyl]purin-6-yl]morpholine
Names & synonyms
SCHEMBL2672960SZOKAGHEGVBJFP-UHFFFAOYSA-N4-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-3-yl)morpholine
Database identifiers
- PubChem CID
- 59605877
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 0
- 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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