Basic information
- Standard SMILES
CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(NC(=O)Nc2ccc(C(C)(C)C)cc2)C1- InChIKey
FRUMRRJOGPLZFD-MAJGUDNFSA-N- Molecular formula
- C26H36N8O4
- Average molar mass
- 524.6 g/mol
Names & identifiers
- Preferred name
- 1-(3-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(methyl)amino)cyclobutyl)-3-(4-(tert-butyl)phenyl)urea
- IUPAC
- 1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea
Names & synonyms
SCHEMBL9108059FRUMRRJOGPLZFD-MAJGUDNFSA-N1-(3-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(methyl)amino)cyclobutyl)-3-(4-(tert-butyl)phenyl)urea
Database identifiers
- PubChem CID
- 67775895
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 816
Related reactions
2 records
Compound notes
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