JKN

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Summary

Name:6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one
Formula:C17 H14 F2 N2 O2
Formal charge:0
Molecular weight:316.302 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H14F2N2O2/c1-17(2,23)10-5-3-9(4-6-10)15-20-14-12(16(22)21-15)7-11(18)8-13(14)19/h3-8,23H,1-2H3,(H,20,21,22)
InChIKeyInChI1.03FHBYLOWAINBPRJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(O)c1ccc(cc1)C2=Nc3c(F)cc(F)cc3C(=O)N2
SMILESCACTVS3.385CC(C)(O)c1ccc(cc1)C2=Nc3c(F)cc(F)cc3C(=O)N2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O
SMILESOpenEye OEToolkits2.0.7CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O