1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-methylphenyl)ethenyl)-, (E)-
Basic information
- CAS
155271-37-7- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3ccc(C)cc3)n2C)n(CC)c1=O- InChIKey
GHKZDAHNLIZOBJ-VAWYXSNFSA-N- Molecular formula
- C19H22N4O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.17427596
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-methylphenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-7-methyl-8-[(E)-2-(4-methylphenyl)ethenyl]purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-methylphenyl)ethenyl)-, (E)-155271-37-7RefChem:1058263(E)-1,3-Diethyl-7-methyl-8-(4-methylstyryl)xanthine(E)-1,3-Diethyl-7-methyl-8-(2-(4-methylphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7314877
Database identifiers
- CAS
155271-37-7- PubChem CID
- 6448883
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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