Basic information
- CAS
155271-30-0- Standard SMILES
CCCOc1ccc(/C=C/c2nc3c([nH]2)c(=O)n(CC)c(=O)n3CC)cc1- InChIKey
HIPBKGNBKRRCET-FMIVXFBMSA-N- Molecular formula
- C20H24N4O3
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.18484064
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-155271-30-0RefChem:1058324(E)-1,3-Diethyl-8-(4-propoxystyryl)xanthine(E)-1,3-Diethyl-8-(2-(4-propoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7314049HIPBKGNBKRRCET-FMIVXFBMSA-N
Database identifiers
- CAS
155271-30-0- PubChem CID
- 6448876
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 559
Related reactions
2 records
Compound notes
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