1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-7-methyl-, (E)-
Basic information
- CAS
155271-09-3- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3cc(C)c(OC)cc3C)n2C)n(CC)c1=O- InChIKey
KLIDVSSHQJVUSP-MDZDMXLPSA-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-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-7-methyl-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-7-methylpurine-2,6-dione
Names & synonyms
155271-09-31H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-7-methyl-, (E)-RefChem:1058283(E)-1,3-Diethyl-8-(4-methoxy-2,5-dimethylstyryl)-7-methylxanthineSCHEMBL7304667
Database identifiers
- CAS
155271-09-3- PubChem CID
- 6448860
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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