1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-(trifluoromethyl)phenyl)ethenyl)-, (E)-

HCID 6448932

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

Related reactions

3 records

Compound notes

Loading…