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NHJ

Summary
Name:4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide
Formula:C18 H14 F3 N5 O
Formal charge:0
Formula weight:373.332 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide
OpenEye OEToolkits1.7.64-[[4-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-2-yl]amino]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc(ccc1)Nc2nc(ncc2)Nc3ccc(C(=O)N)cc3
InChIInChI1.03InChI=1S/C18H14F3N5O/c19-18(20,21)12-2-1-3-14(10-12)24-15-8-9-23-17(26-15)25-13-6-4-11(5-7-13)16(22)27/h1-10H,(H2,22,27)(H2,23,24,25,26)
InChIKeyInChI1.03WTPGNNPEEJSILJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370NC(=O)c1ccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)cc1
SMILESCACTVS3.370NC(=O)c1ccc(Nc2nccc(Nc3cccc(c3)C(F)(F)F)n2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F

218853

PDB entries from 2024-04-24

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