1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,5-dimethoxyphenyl)ethenyl)-, (E)-
Basic information
- CAS
155271-60-6- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cc(OC)cc(OC)c3)nc2n(CC)c1=O- InChIKey
OLBIZARPBIBQBZ-BQYQJAHWSA-N- Molecular formula
- C19H22N4O4
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.1641052
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,5-dimethoxyphenyl)ethenyl)-, (E)-
- IUPAC
- 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Names & synonyms
155271-60-61H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,5-dimethoxyphenyl)ethenyl)-, (E)-RefChem:1058294(E)-8-(3,5-Dimethoxystyryl)-1,3-diethylxanthine(E)-1,3-Diethyl-8-(2-(3,5-dimethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7309857OLBIZARPBIBQBZ-BQYQJAHWSA-N(E)-8-(3,5-dimethoxystyryl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione(E)-8-(3,5-Dimethoxystyryl)- 1,3-diethylxanthine
Database identifiers
- CAS
155271-60-6- PubChem CID
- 6448906
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…