Basic information
- CAS
155271-86-6- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cccc(C(F)(F)F)c3)nc2n(CC)c1=O- InChIKey
CHQNAORVKUUKQN-CMDGGOBGSA-N- Molecular formula
- C18H17F3N4O2
- Average molar mass
- 378.3 g/mol
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-(trifluoromethyl)phenyl)ethenyl)-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-7H-purine-2,6-dione
Names & synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-(trifluoromethyl)phenyl)ethenyl)-, (E)-155271-86-6RefChem:1058297(E)-1,3-Diethyl-8-(3-trifluoromethylstyryl)xanthine(E)-1,3-Diethyl-8-(2-(3-(trifluoromethyl)phenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7315930
Database identifiers
- CAS
155271-86-6- PubChem CID
- 6448932
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 610
Related reactions
3 records
Compound notes
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