155271-91-3
(E)-1,3-DIETHYL-8-(2-(2-FLUOROPHENYL)ETHENYL)-7-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Name(E)-1,3-DIETHYL-8-(2-(2-FLUOROPHENYL)ETHENYL)-7-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
pro_formulaC18 H19 F N4 O2
1Identification
【Name】
(E)-1,3-DIETHYL-8-(2-(2-FLUOROPHENYL)ETHENYL)-7-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
【CAS】
【MDL】
MFCD01757821
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H19 F N4 O2
【pro_molWeight】
342.372
【Inchi】
InChI=1S/C18H19FN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)11-10-12-8-6-7-9-13(12)19/h6-11H,4-5H2,1-3H3/b11-10+
【InChIKey】
InChIKey=UCXCUJKVXMETCY-ZHACJKMWSA-N
【SMILES】
CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccccc3F)C
【MOL File】
(E)-1,3-DIETHYL-8-(2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(E)-1,3-DIETHYL-8-(2-(2-FLUOROPHENYL)ETHENYL)-7-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE.cml