1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethoxyphenyl)ethenyl)-7-methyl-, (E)-
Basic information
- CAS
155271-01-5- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3OC)n2C)n(CC)c1=O- InChIKey
HMFNHSWZSIBCBY-VAWYXSNFSA-N- Molecular formula
- C20H24N4O4
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.17975526
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethoxyphenyl)ethenyl)-7-methyl-, (E)-
- IUPAC
- 8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Names & synonyms
155271-01-51H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethoxyphenyl)ethenyl)-7-methyl-, (E)-RefChem:1058274(E)-8-(2,3-Dimethoxystyryl)-1,3-diethyl-7-methylxanthineSCHEMBL7304671
Database identifiers
- CAS
155271-01-5- PubChem CID
- 6448852
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 613
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Compound notes
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