1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-
Basic information
- CAS
155271-31-1- Standard SMILES
CCCOc1ccc(/C=C/c2nc3c(c(=O)n(CC)c(=O)n3CC)n2C)cc1- InChIKey
DXJUOFIXNGIKFE-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-1,3-diethyl-7-methyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-7-methyl-8-[(E)-2-(4-propoxyphenyl)ethenyl]purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-155271-31-1RefChem:1058265(E)-1,3-Diethyl-7-methyl-8-(4-propoxystyryl)xanthine(E)-1,3-Diethyl-7-methyl-8-(2-(4-propoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7315102
Database identifiers
- CAS
155271-31-1- PubChem CID
- 6448877
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 588
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Compound notes
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