Ethanol, 2-((2-((4-butylphenyl)amino)-6-chloro-9H-purin-9-yl)methoxy)-
Basic information
- CAS
104715-78-8- Standard SMILES
CCCCc1ccc(Nc2nc(Cl)c3ncn(COCCO)c3n2)cc1- InChIKey
SYBYUEREIFUEHW-UHFFFAOYSA-N- Molecular formula
- C18H22ClN5O2
- Average molar mass
- 375.9 g/mol
- Monoisotopic mass
- 375.1462027
Names & identifiers
- Preferred name
- Ethanol, 2-((2-((4-butylphenyl)amino)-6-chloro-9H-purin-9-yl)methoxy)-
- IUPAC
- 2-[[2-(4-butylanilino)-6-chloropurin-9-yl]methoxy]ethanol
Names & synonyms
Ethanol, 2-((2-((4-butylphenyl)amino)-6-chloro-9H-purin-9-yl)methoxy)-104715-78-82-(p-n-Butylanilino)-6-chloro-9-((2-hydroxyethoxy)methyl)purine2-((2-((4-Butylphenyl)amino)-6-chloro-9H-purin-9-yl)methoxy)ethanolNSC681697CHEMBL16173DTXSID00146679NSC-6816972-{[2-(4-Butylanilino)-6-chloro-9H-purin-9-yl]methoxy}ethan-1-ol
Database identifiers
- CAS
104715-78-8- PubChem CID
- 387672
- DTXSID
DTXSID00146679- ChEMBL
CHEMBL16173
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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