Basic information
- CAS
155272-01-8- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cccc(F)c3C)nc2n(CC)c1=O- InChIKey
YYSFNPLIUJLNOZ-MDZDMXLPSA-N- Molecular formula
- C18H19FN4O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.14920402
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluoro-2-methylphenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(3-fluoro-2-methylphenyl)ethenyl]-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluoro-2-methylphenyl)ethenyl)-, (E)-155272-01-8RefChem:1058298(E)-1,3-Diethyl-8-(3-fluoro-2-methylstyryl)xanthine(E)-1,3-Diethyl-8-(2-(3-fluoro-2-methylphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7316324YYSFNPLIUJLNOZ-MDZDMXLPSA-N
Database identifiers
- CAS
155272-01-8- PubChem CID
- 6448947
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 555
Related reactions
3 records
Compound notes
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