Basic information
- CAS
147700-44-5- Standard SMILES
CCCn1c(=O)c2c(nc(/C=C/c3cccc(F)c3)n2C)n(CCC)c1=O- InChIKey
JTQXOLBECFVKGM-MDZDMXLPSA-N- Molecular formula
- C20H23FN4O2
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.18050415
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3-fluorophenyl)ethenyl)-7-methyl-, (E)-
- IUPAC
- 8-[(E)-2-(3-fluorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3-fluorophenyl)ethenyl)-7-methyl-, (E)-147700-44-5RefChem:1058350(E)-8-(3-Fluorostyryl)-7-methyl-1,3-dipropylxanthineCHEMBL28258(E)-1,3-Dipropyl-8-(2-(3-fluorophenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7729600BDBM500471608-[2-(3-Fluoro-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Database identifiers
- CAS
147700-44-5- PubChem CID
- 6448754
- ChEMBL
CHEMBL28258- Nikkaji
- J551.323E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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