Methyl (3-{[[4-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)butyl](2-morpholin-4-ylethyl)amino]methyl}phenyl)acetate
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Basic information
- Standard SMILES
CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN(CCN3CCOCC3)Cc3cccc(CC(=O)OC)c3)c2n1- InChIKey
DORKELJUHALDTI-UHFFFAOYSA-N- Molecular formula
- C29H43N7O5
- Average molar mass
- 569.7 g/mol
Names & identifiers
- Preferred name
- Methyl (3-{[[4-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)butyl](2-morpholin-4-ylethyl)amino]methyl}phenyl)acetate
- IUPAC
- methyl 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-morpholin-4-ylethyl)amino]methyl]phenyl]acetate
Names & synonyms
SCHEMBL12048826DORKELJUHALDTI-UHFFFAOYSA-NMethyl (3-{[[4-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)butyl](2-morpholin-4-ylethyl)amino]methyl}phenyl)acetate
Database identifiers
- PubChem CID
- 11613901
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 802
Related reactions
6 records
Compound notes
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