1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-, (E)-
Basic information
- CAS
155271-04-8- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3OC)nc2n(CC)c1=O- InChIKey
ZKOUTWWJBLNQFU-PKNBQFBNSA-N- Molecular formula
- C20H24N4O5
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.17466988
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-, (E)-155271-04-8RefChem:1058270(E)-1,3-Diethyl-8-(2,3,4-trimethoxystyryl)xanthine(E)-1,3-Diethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7301077ZKOUTWWJBLNQFU-PKNBQFBNSA-N
Database identifiers
- CAS
155271-04-8- PubChem CID
- 6448855
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 630
Related reactions
2 records
Compound notes
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