(E)-8-(3-Chlorostyryl)-1,3-diethylxanthine

HCID 6448908

Basic information

CAS
155271-62-8
Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cccc(Cl)c3)nc2n(CC)c1=O
InChIKey
XRHGUKRFVFFMOA-CMDGGOBGSA-N
Molecular formula
C17H17ClN4O2
Average molar mass
344.8 g/mol

Names & identifiers

Preferred name
(E)-8-(3-Chlorostyryl)-1,3-diethylxanthine
IUPAC
8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione

Names & synonyms

(E)-8-(3-Chlorostyryl)-1,3-diethylxanthine155271-62-8RefChem:1050924(E)-8-(2-(3-Chlorophenyl)ethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chlorophenyl)ethenyl)-1,3-diethyl-, (E)-SCHEMBL7312605XRHGUKRFVFFMOA-CMDGGOBGSA-N

Database identifiers

CAS
155271-62-8
PubChem CID
6448908

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
69.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
24

Related reactions

3 records

Compound notes

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