7-Benzyl-8-bromo-3-methyl-1-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione

HCID 22508576

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

Related reactions

6 records

Compound notes

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