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Basic information
- CAS
151539-27-4- Standard SMILES
CCCn1c(=O)c2[nH]c(/C=C/c3cccc(OC)c3OC)nc2n(CCC)c1=O- InChIKey
HFNRZVXFXCEHHK-ZHACJKMWSA-N- Molecular formula
- C21H26N4O4
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-
- IUPAC
- 8-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-151539-27-4RefChem:1058390(E)-8-(2,3-Dimethoxystyryl)-1,3-dipropylxanthine(E)-8-(2-(2,3-Dimethoxyphenyl)ethenyl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7732156HFNRZVXFXCEHHK-ZHACJKMWSA-N
Database identifiers
- CAS
151539-27-4- PubChem CID
- 6448784
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 613
Related reactions
3 records
Compound notes
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