Basic information
- CAS
155271-27-5- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3cc(C)ccc3C)n2C)n(CC)c1=O- InChIKey
NHYDMTSWVYYMOZ-ZHACJKMWSA-N- Molecular formula
- C20H24N4O2
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.18992602
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-7-methyl-, (E)-
- IUPAC
- 8-[(E)-2-(2,5-dimethylphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Names & synonyms
155271-27-51H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-7-methyl-, (E)-RefChem:1058285(E)-8-(2,5-Dimethylstyryl)-1,3-diethyl-7-methylxanthine(E)-1,3-Diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7315044
Database identifiers
- CAS
155271-27-5- PubChem CID
- 6448873
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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