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Basic information
- CAS
155271-32-2- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cccc(OC)c3)nc2n(CC)c1=O- InChIKey
HRMJJJDGACABJM-MDZDMXLPSA-N- Molecular formula
- C18H20N4O3
- Average molar mass
- 340.4 g/mol
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxyphenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxyphenyl)ethenyl)-, (E)-155271-32-2RefChem:1058306(E)-1,3-Diethyl-8-(3-methoxystyryl)xanthine(E)-1,3-Diethyl-8-(2-(3-methoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7283640HRMJJJDGACABJM-MDZDMXLPSA-N
Database identifiers
- CAS
155271-32-2- PubChem CID
- 6448878
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 538
Related reactions
5 records
Compound notes
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