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5H4

Summary
Name:N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
Formula:C22 H24 F N3 S
Formal charge:0
Formula weight:381.509 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cccc(c1)CCN(CC)Cc2cc(ccc2)NC(=[N@H])c3sccc3
InChIInChI1.03InChI=1S/C22H24FN3S/c1-2-26(12-11-17-6-3-8-19(23)14-17)16-18-7-4-9-20(15-18)25-22(24)21-10-5-13-27-21/h3-10,13-15H,2,11-12,16H2,1H3,(H2,24,25)
InChIKeyInChI1.03DFFRHUPAEPPGQC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCN(CCc1cccc(F)c1)Cc2cccc(NC(=N)c3sccc3)c2
SMILESCACTVS3.370CCN(CCc1cccc(F)c1)Cc2cccc(NC(=N)c3sccc3)c2
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(\c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F
SMILESOpenEye OEToolkits1.7.6CCN(CCc1cccc(c1)F)Cc2cccc(c2)NC(=N)c3cccs3

246704

PDB entries from 2025-12-24

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