1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-
Basic information
- CAS
151539-48-9- Standard SMILES
CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(Br)c3)nc2n(CCC)c1=O- InChIKey
ZHAMJBDOFNMBFM-VQHVLOKHSA-N- Molecular formula
- C20H23BrN4O3
- Average molar mass
- 447.3 g/mol
- Monoisotopic mass
- 446.09535
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-
- IUPAC
- 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-151539-48-9RefChem:1058428(E)-8-(3-Bromo-4-methoxystyryl)-1,3-dipropylxanthine(E)-8-(2-(3-Bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7280362ZHAMJBDOFNMBFM-VQHVLOKHSA-N
Database identifiers
- CAS
151539-48-9- PubChem CID
- 6448801
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 602
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Related reactions
4 records
Compound notes
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