Basic information
- Standard SMILES
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C=O)n(C)c2n1- InChIKey
YHWAYFOXXNERNV-UHFFFAOYSA-N- Molecular formula
- C20H21N7O2
- Average molar mass
- 391.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehyde
- IUPAC
- 2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurine-8-carbaldehyde
Names & synonyms
SCHEMBL2674412YHWAYFOXXNERNV-UHFFFAOYSA-N2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purine-8-carbaldehyde2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine-8-carbaldehyde
Database identifiers
- PubChem CID
- 59605987
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 589
Related reactions
139 records
Compound notes
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