Basic information
- Standard SMILES
Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2Br)n(C)c1=O- InChIKey
NUMSYWCBFYCJGC-UHFFFAOYSA-N- Molecular formula
- C14H12BrClN4O2
- Average molar mass
- 383.63 g/mol
Names & identifiers
- Preferred name
- Purine-2,6(1H,3H)-dione, 7-(2-bromobenzyl)-8-chloro-1,3-dimethyl-
- IUPAC
- 7-[(2-bromophenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione
Names & synonyms
Oprea1_179331SCHEMBL637460AKOS001618104SR-01000435484SR-01000435484-17-(2-bromobenzyl)-8-chloro-1, 3-dimethyl-3,7-dihydropurine-2,6-dione7-(2-Bromobenzyl)-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dionePurine-2,6(1H,3H)-dione, 7-(2-bromobenzyl)-8-chloro-1,3-dimethyl-7-(2-Bromobenzyl)-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione #
Database identifiers
- PubChem CID
- 598207
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 480
Related reactions
13 records
Compound notes
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