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XDU

Summary
Name:4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol
Formula:C13 H7 Cl2 F3 N2 O
Formal charge:0
Formula weight:335.109 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol
OpenEye OEToolkits2.0.74-[(~{E})-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1nc(/C=C/c2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
InChIInChI1.06InChI=1S/C13H7Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1-6H,(H,19,20,21)/b4-2+
InChIKeyInChI1.06MMOUYBCDJMEUFG-DUXPYHPUSA-N
SMILES_CANONICALCACTVS3.385Oc1nc(\C=C\c2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
SMILESCACTVS3.385Oc1nc(C=Cc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)Cl)/C=C/c2cc(nc(n2)O)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)Cl)C=Cc2cc(nc(n2)O)C(F)(F)F

219140

PDB entries from 2024-05-01

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