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5H3

Summary
Name:N-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
Formula:C20 H20 F N3 S
Formal charge:0
Formula weight:353.456 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
OpenEye OEToolkits1.7.6N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]thiophene-2-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cccc(c1)CCNCc2cc(ccc2)NC(=[N@H])c3sccc3
InChIInChI1.03InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)
InChIKeyInChI1.03QJSHZJYEBIUVCD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Fc1cccc(CCNCc2cccc(NC(=N)c3sccc3)c2)c1
SMILESCACTVS3.370Fc1cccc(CCNCc2cccc(NC(=N)c3sccc3)c2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(\c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)F)CCNCc2cccc(c2)NC(=N)c3cccs3

222926

數據於2024-07-24公開中

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