Basic information
- Standard SMILES
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(Cc4ccno4)C3)n(C)c2n1- InChIKey
WGRZLWGQJSKVEH-UHFFFAOYSA-N- Molecular formula
- C26H29N9O2
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.2444212
Names & identifiers
- Preferred name
- 4-(8-((1-(isoxazol-5-ylmethyl)azetidin-3-yl)methyl)-9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9H-purin-6-yl)morpholine
- IUPAC
- 4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-[[1-(1,2-oxazol-5-ylmethyl)azetidin-3-yl]methyl]purin-6-yl]morpholine
Names & synonyms
SCHEMBL2673858WGRZLWGQJSKVEH-UHFFFAOYSA-N4-(8-((1-(isoxazol-5-ylmethyl)azetidin-3-yl)methyl)-9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9H-purin-6-yl)morpholine
Database identifiers
- PubChem CID
- 59605780
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 781
Related reactions
2 records
Compound notes
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