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S3Q

Summary
Name:6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
Formula:C20 H20 F3 N3 O2
Formal charge:0
Formula weight:391.387 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H20F3N3O2/c1-11(13-6-5-7-14(8-13)20(21,22)23)24-19-15-9-17(27-3)18(28-4)10-16(15)25-12(2)26-19/h5-11H,1-4H3,(H,24,25,26)/t11-/m1/s1
InChIKeyInChI1.03UWEJNKMEGIGAGY-LLVKDONJSA-N
SMILES_CANONICALCACTVS3.385COc1cc2nc(C)nc(N[C@H](C)c3cccc(c3)C(F)(F)F)c2cc1OC
SMILESCACTVS3.385COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)C(F)(F)F)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)C(F)(F)F)OC)OC
SMILESOpenEye OEToolkits2.0.7Cc1nc2cc(c(cc2c(n1)NC(C)c3cccc(c3)C(F)(F)F)OC)OC

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건을2024-07-10부터공개중

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