Basic information
- Standard SMILES
Cn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2c1nc(Br)n2Cc1ccccc1- InChIKey
SFLJFGCDQPQTAY-UHFFFAOYSA-N- Molecular formula
- C21H17BrN4O3
- Average molar mass
- 453.3 g/mol
- Monoisotopic mass
- 452.0484
Names & identifiers
- Preferred name
- 7-Benzyl-8-bromo-3-methyl-1-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione
- IUPAC
- 7-benzyl-8-bromo-3-methyl-1-phenacylpurine-2,6-dione
Names & synonyms
SCHEMBL4669730SFLJFGCDQPQTAY-UHFFFAOYSA-N7-Benzyl-8-bromo-3-methyl-1-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione7-Benzyl-8-bromo-3-methyl-1-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2.6-dione
Database identifiers
- PubChem CID
- 22508576
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 648
Related reactions
6 records
Compound notes
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