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6UK

Summary
Name:1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
Formula:C20 H17 F3 N4 O
Formal charge:0
Formula weight:386.37 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.51-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H17F3N4O/c1-13-24-12-17(18(26-13)14-7-3-2-4-8-14)27-19(28)25-11-15-9-5-6-10-16(15)20(21,22)23/h2-10,12H,11H2,1H3,(H2,25,27,28)
InChIKeyInChI1.03WEXHMXAXMQENNT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ncc(NC(=O)NCc2ccccc2C(F)(F)F)c(n1)c3ccccc3
SMILESCACTVS3.385Cc1ncc(NC(=O)NCc2ccccc2C(F)(F)F)c(n1)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F
SMILESOpenEye OEToolkits2.0.5Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F

246704

PDB entries from 2025-12-24

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