Basic information
- Standard SMILES
CCCCCNc1nc(N)nc(C)c1Cc1ccc(CC(=O)OCCCCN(C)C)cc1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
CNCCKQAIWAKTDF-LVEZLNDCSA-N- Molecular formula
- C33H47N5O10
- Average molar mass
- 673.8 g/mol
Names & identifiers
- Preferred name
- 4-(Dimethylamino)butyl 2-(4-((2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)phenyl)acetate difumaric acid salt
- IUPAC
- bis((E)-but-2-enedioic acid);4-(dimethylamino)butyl 2-[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]acetate
Names & synonyms
SCHEMBL2902017CNCCKQAIWAKTDF-LVEZLNDCSA-N4-(dimethylamino)butyl 2-(4-((2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)phenyl)acetate difumaric acid salt
Database identifiers
- PubChem CID
- 49839367
Properties
Computed structural properties
- Topological polar surface area
- 243 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 19
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 630
Related reactions
1 records
Compound notes
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