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A1B06

Summary
Name:(4M)-4-[3-(benzyloxy)phenyl]-2-(ethanesulfinyl)-6-(trifluoromethyl)pyrimidine
Formula:C20 H17 F3 N2 O2 S
Formal charge:0
Formula weight:406.421 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(4M)-4-[3-(benzyloxy)phenyl]-2-(ethanesulfinyl)-6-(trifluoromethyl)pyrimidine
OpenEye OEToolkits3.1.0.02-ethylsulfinyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(CC)c1nc(cc(n1)C(F)(F)F)c1cccc(OCc2ccccc2)c1
InChIInChI1.06InChI=1S/C20H17F3N2O2S/c1-2-28(26)19-24-17(12-18(25-19)20(21,22)23)15-9-6-10-16(11-15)27-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3
InChIKeyInChI1.06NTDFYGSSDDMNHI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)c1nc(cc(n1)C(F)(F)F)c2cccc(OCc3ccccc3)c2
SMILESCACTVS3.385CC[S](=O)c1nc(cc(n1)C(F)(F)F)c2cccc(OCc3ccccc3)c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCS(=O)c1nc(cc(n1)C(F)(F)F)c2cccc(c2)OCc3ccccc3
SMILESOpenEye OEToolkits3.1.0.0CCS(=O)c1nc(cc(n1)C(F)(F)F)c2cccc(c2)OCc3ccccc3

260320

PDB entries from 2026-09-30

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