Basic information
- CAS
151539-20-7- Standard SMILES
CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(C)c3OC)nc2n(CCC)c1=O- InChIKey
YFKCKLWMHCNBPO-PKNBQFBNSA-N- Molecular formula
- C22H28N4O4
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxy-3-methylphenyl)ethenyl)-1,3-dipropyl-, (E)-
- IUPAC
- 8-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Names & synonyms
151539-20-71H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxy-3-methylphenyl)ethenyl)-1,3-dipropyl-, (E)-RefChem:1058393(E)-8-(2,4-Dimethoxy-3-methylstyryl)-1,3-dipropylxanthineSCHEMBL7729580YFKCKLWMHCNBPO-PKNBQFBNSA-N
Database identifiers
- CAS
151539-20-7- PubChem CID
- 6448778
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 643
Related reactions
3 records
Compound notes
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