1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-phenylmethoxy)phenyl)ethenyl)-,(E)-
Basic information
- CAS
155272-06-3- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3ccc(OCc4ccccc4)cc3)n2C)n(CC)c1=O- InChIKey
UORBOSGJHMUVHM-DTQAZKPQSA-N- Molecular formula
- C25H26N4O3
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.2004907
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-phenylmethoxy)phenyl)ethenyl)-,(E)-
- IUPAC
- 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]purine-2,6-dione
Names & synonyms
155272-06-31H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-phenylmethoxy)phenyl)ethenyl)-,(E)-RefChem:1058264(E)-8-(4-Benzyloxystyryl)-1,3-diethyl-7-methylxanthine1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]purine-2,6-dioneSCHEMBL7312960UORBOSGJHMUVHM-DTQAZKPQSA-NAKOS037631280
Database identifiers
- CAS
155272-06-3- PubChem CID
- 6448950
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 685
Related reactions
3 records
Compound notes
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