1H-Purine-2,6-dione, 8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-
Basic information
- CAS
151539-50-3- Standard SMILES
CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(Br)c3)n2C)n(CCC)c1=O- InChIKey
OXBSWNUXZWSGFG-CSKARUKUSA-N- Molecular formula
- C21H25BrN4O3
- Average molar mass
- 461.4 g/mol
- Monoisotopic mass
- 460.111
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-
- IUPAC
- 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Names & synonyms
151539-50-3DTXSID6011137231H-Purine-2,6-dione, 8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-1H-Purine-2,6-dione, 8-[2-(3-bromo-4-methoxyphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-RefChem:1058459DTXCID201545314(E)-8-(3-Bromo-4-methoxystyryl)-7-methyl-1,3-dipropylxanthine1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-SCHEMBL72916738-[(E)-2-(3-Bromo-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
151539-50-3- PubChem CID
- 6448802
- DTXSID
DTXSID601113723
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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