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

HCID 6448904

Basic information

CAS
155271-58-2
Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3cccc(F)c3)nc2n(CC)c1=O
InChIKey
XZUBFHMAJUWVAR-CMDGGOBGSA-N
Molecular formula
C17H17FN4O2
Average molar mass
328.34 g/mol
Monoisotopic mass
328.13355396

Names & identifiers

Preferred name
1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluorophenyl)ethenyl)-, (E)-
IUPAC
1,3-diethyl-8-[(E)-2-(3-fluorophenyl)ethenyl]-7H-purine-2,6-dione

Names & synonyms

1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-fluorophenyl)ethenyl)-, (E)-155271-58-2RefChem:1058302(E)-1,3-Diethyl-8-(3-fluorostyryl)xanthine(E)-1,3-Diethyl-8-(2-(3-fluorophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7312713XZUBFHMAJUWVAR-CMDGGOBGSA-N

Database identifiers

CAS
155271-58-2
PubChem CID
6448904

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
69.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
24

Related reactions

3 records

Compound notes

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