1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromophenyl)ethenyl)-1,3-diethyl-, (E)-

HCID 6448930

Basic information

CAS
155271-84-4
Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cccc(Br)c3)nc2n(CC)c1=O
InChIKey
MWFJUQNGMQBODH-CMDGGOBGSA-N
Molecular formula
C17H17BrN4O2
Average molar mass
389.2 g/mol

Names & identifiers

Preferred name
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromophenyl)ethenyl)-1,3-diethyl-, (E)-
IUPAC
8-[(E)-2-(3-bromophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione

Names & synonyms

1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromophenyl)ethenyl)-1,3-diethyl-, (E)-155271-84-4RefChem:1058429(E)-8-(3-Bromostyryl)-1,3-diethylxanthine(E)-8-(2-(3-Bromophenyl)ethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7280344MWFJUQNGMQBODH-CMDGGOBGSA-N

Database identifiers

CAS
155271-84-4
PubChem CID
6448930

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
69.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
24

Related reactions

5 records

Compound notes

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