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XE0

Summary
Name:4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol
Formula:C13 H9 Cl2 F3 N2 O
Formal charge:0
Formula weight:337.125 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol
OpenEye OEToolkits2.0.74-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
InChIInChI1.06InChI=1S/C13H9Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1,3,5-6H,2,4H2,(H,19,20,21)
InChIKeyInChI1.06IBPXEUWFSZDIPG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
SMILESCACTVS3.385Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)Cl)CCc2cc(nc(n2)O)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)Cl)CCc2cc(nc(n2)O)C(F)(F)F

224004

PDB entries from 2024-08-21

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