Completing data — usually done within a minute
Basic information
- CAS
155271-33-3- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CC)c1=O- InChIKey
GCQNNBDLJOCODU-ZHACJKMWSA-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-(3-methoxyphenyl)ethenyl)-7-methyl-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methylpurine-2,6-dione
Names & synonyms
155271-33-31H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxyphenyl)ethenyl)-7-methyl-, (E)-RefChem:1058307(E)-1,3-Diethyl-8-(3-methoxystyryl)-7-methylxanthine(E)-1,3-Diethyl-8-(2-(3-methoxyphenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7279468GCQNNBDLJOCODU-ZHACJKMWSA-N
Database identifiers
- CAS
155271-33-3- PubChem CID
- 6448879
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 567
Related reactions
1 records
Compound notes
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