1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluoro-4-methoxyphenyl)ethenyl)-, (E)-
Basic information
- CAS
155271-95-7- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(F)c3)nc2n(CC)c1=O- InChIKey
XCDRLGMBZGTADQ-VQHVLOKHSA-N- Molecular formula
- C18H19FN4O3
- Average molar mass
- 358.4 g/mol
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluoro-4-methoxyphenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluoro-4-methoxyphenyl)ethenyl)-, (E)-155271-95-7RefChem:1058300(E)-1,3-Diethyl-8-(3-fluoro-4-methoxystyryl)xanthine(E)-1,3-Diethyl-8-(2-(3-fluoro-4-methoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7311838XCDRLGMBZGTADQ-VQHVLOKHSA-N
Database identifiers
- CAS
155271-95-7- PubChem CID
- 6448941
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 573
Related reactions
3 records
Compound notes
Loading…