1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-phenoxyphenyl)ethenyl)-, (E)-
Basic information
- CAS
155814-35-0- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cccc(Oc4ccccc4)c3)nc2n(CC)c1=O- InChIKey
BQXHAENPWKQCCC-BUHFOSPRSA-N- Molecular formula
- C23H22N4O3
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.16919058
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-phenoxyphenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(3-phenoxyphenyl)ethenyl]-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-phenoxyphenyl)ethenyl)-, (E)-155814-35-0RefChem:1058309(E)-1,3-Diethyl-8-(3-phenoxystyryl)xanthine(E)-1,3-Diethyl-8-(2-(3-phenoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7304683BQXHAENPWKQCCC-BUHFOSPRSA-N
Database identifiers
- CAS
155814-35-0- PubChem CID
- 6448979
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 648
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Related reactions
3 records
Compound notes
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