Basic information
- CAS
155271-28-6- Standard SMILES
CCOc1ccc(/C=C/c2nc3c([nH]2)c(=O)n(CC)c(=O)n3CC)cc1- InChIKey
FJLJGKLMPHDZLH-FMIVXFBMSA-N- Molecular formula
- C19H22N4O3
- Average molar mass
- 354.4 g/mol
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-ethoxyphenyl)ethenyl)-, (E)-
- IUPAC
- 8-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-ethoxyphenyl)ethenyl)-, (E)-155271-28-6RefChem:1058315(E)-8-(4-Ethoxystyryl)-1,3-diethylxanthine(E)-1,3-Diethyl-8-(2-(4-ethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7311834FJLJGKLMPHDZLH-FMIVXFBMSA-N
Database identifiers
- CAS
155271-28-6- PubChem CID
- 6448874
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 545
Related reactions
3 records
Compound notes
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