Basic information
- CAS
155271-06-0- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(C)c3C)nc2n(CC)c1=O- InChIKey
XAGKAAKDNYPRMI-PKNBQFBNSA-N- Molecular formula
- C20H24N4O3
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.18484064
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethyl-4-methoxy)phenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-7H-purine-2,6-dione
Names & synonyms
155271-06-01H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethyl-4-methoxy)phenyl)ethenyl)-, (E)-RefChem:1058276(E)-1,3-Diethyl-8-(4-methoxy-2,3-dimethylstyryl)xanthineSCHEMBL7307276XAGKAAKDNYPRMI-PKNBQFBNSA-N(E)-1,3-Diethyl-8 -(4-methoxy-2,3-dimethylstyryl)xanthine
Database identifiers
- CAS
155271-06-0- PubChem CID
- 6448857
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 596
Related reactions
3 records
Compound notes
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