Basic information
- Standard SMILES
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C(=O)OC(C)(C)C)C3)n(C)c2n1- InChIKey
QEYHYBDJOIXKBS-UHFFFAOYSA-N- Molecular formula
- C28H36N8O3
- Average molar mass
- 532.6 g/mol
- Monoisotopic mass
- 532.29103704
Names & identifiers
- Preferred name
- 3-[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]azetidine-1-carboxylate
Names & synonyms
SCHEMBL2674091QEYHYBDJOIXKBS-UHFFFAOYSA-N3 -[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidine-1-carboxylic acid tert-butyl ester3-[2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidine-1-carboxylic acid tert-butyl estertert-butyl 3-((9-methyl-2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)methyl)azetidine-1-carboxylate
Database identifiers
- PubChem CID
- 59605656
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 860
Related reactions
12 records
Compound notes
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