1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-butoxyphenyl)ethenyl)-1,3-diethyl-, (E)-
Basic information
- CAS
155271-34-4- Standard SMILES
CCCCOc1ccc(/C=C/c2nc3c([nH]2)c(=O)n(CC)c(=O)n3CC)cc1- InChIKey
VPYHOTGAOJQYRA-JLHYYAGUSA-N- Molecular formula
- C21H26N4O3
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.2004907
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-butoxyphenyl)ethenyl)-1,3-diethyl-, (E)-
- IUPAC
- 8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-butoxyphenyl)ethenyl)-1,3-diethyl-, (E)-155271-34-4RefChem:1058438(E)-8-(4-Butoxystyryl)-1,3-diethylxanthine(E)-8-(2-(4-Butoxyphenyl)ethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7311436VPYHOTGAOJQYRA-JLHYYAGUSA-N
Database identifiers
- CAS
155271-34-4- PubChem CID
- 6448880
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 574
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Related reactions
3 records
Compound notes
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