1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-

HCID 6448868

Basic information

CAS
155271-20-8
Standard SMILES
COc1ccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c(OC)c1
InChIKey
JZZLWOPNACLOML-SOFGYWHQSA-N
Molecular formula
C17H18N4O4
Average molar mass
342.35 g/mol

Names & identifiers

Preferred name
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-
IUPAC
8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione

Names & synonyms

155271-20-81H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxyphenyl)ethenyl)-1,3-dimethyl-, (E)-RefChem:1058396(E)-8-(2,4-Dimethoxystyryl)theophylline(E)-8-(2-(2,4-Dimethoxyphenyl)ethenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7304364JZZLWOPNACLOML-SOFGYWHQSA-N

Database identifiers

CAS
155271-20-8
PubChem CID
6448868

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
87.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

Related reactions

3 records

Compound notes

Loading…