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
- Formal charge
- 0
- Complexity
- 555
Related reactions
3 records
Compound notes
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