Basic information
- CAS
155271-02-6- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)cc3OC)nc2n(CC)c1=O- InChIKey
UPYDELJMQZUSSB-CSKARUKUSA-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-(2,4-dimethoxyphenyl)ethenyl)-, (E)-
- IUPAC
- 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
- English name
- 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
- Molecular formula
- C19H22N4O4
- Molecular weight
- 370.4
Names & synonyms
155271-02-61H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,4-dimethoxyphenyl)ethenyl)-, (E)-RefChem:1058280(E)-8-(2,4-Dimethoxystyryl)-1,3-diethylxanthine(E)-1,3-Diethyl-8-(2-(2,4-dimethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dioneSCHEMBL7304074UPYDELJMQZUSSB-CSKARUKUSA-N1H-Purine-2,6-dione, 8-[2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-, (E)- (9CI)
Database identifiers
- CAS
155271-02-6- PubChem CID
- 6448853
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
- 584
Physicochemical properties
- Boiling point
- 626.4 · 626.4±65.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- pka
- 7.98 · 7.98±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
3 records
Compound notes
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