methyl (3-{[[3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl](3-morpholin-4-ylpropyl)amino]methyl}phenyl)acetate dimaleate
Basic information
- Standard SMILES
CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(CCCN3CCOCC3)Cc3cccc(CC(=O)OC)c3)c2n1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O- InChIKey
YETBEJVSGBILHE-SPIKMXEPSA-N- Molecular formula
- C37H51N7O13
- Average molar mass
- 801.8 g/mol
- Monoisotopic mass
- 801.35448471
Names & identifiers
- Preferred name
- methyl (3-{[[3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl](3-morpholin-4-ylpropyl)amino]methyl}phenyl)acetate dimaleate
- IUPAC
- bis((Z)-but-2-enedioic acid);methyl 2-[3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]phenyl]acetate
Names & synonyms
YETBEJVSGBILHE-SPIKMXEPSA-Nmethyl (3-{[[3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl](3-morpholin-4-ylpropyl)amino]methyl}phenyl)acetate dimaleate
Database identifiers
- PubChem CID
- 86659797
Properties
Computed structural properties
- Topological polar surface area
- 285 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 21
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 920
Related reactions
1 records
Compound notes
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