Purine-2,6(1H,3H)-dione, 7-(2-bromobenzyl)-8-chloro-1,3-dimethyl-

HCID 598207

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

Related reactions

13 records

Compound notes

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