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A1EWF

Summary
Name:~{N}-(3-aminocarbonyl-6-~{tert}-butyl-1-benzothiophen-2-yl)pyridine-4-carboxamide
Formula:C19 H19 N3 O2 S
Formal charge:0
Formula weight:353.438 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(3-aminocarbonyl-6-~{tert}-butyl-1-benzothiophen-2-yl)pyridine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H19N3O2S/c1-19(2,3)12-4-5-13-14(10-12)25-18(15(13)16(20)23)22-17(24)11-6-8-21-9-7-11/h4-10H,1-3H3,(H2,20,23)(H,22,24)
InChIKeyInChI1.06XFEZYNARLITUBF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)c1ccc2c(sc(NC(=O)c3ccncc3)c2C(N)=O)c1
SMILESCACTVS3.385CC(C)(C)c1ccc2c(sc(NC(=O)c3ccncc3)c2C(N)=O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)c1ccc2c(c1)sc(c2C(=O)N)NC(=O)c3ccncc3
SMILESOpenEye OEToolkits2.0.7CC(C)(C)c1ccc2c(c1)sc(c2C(=O)N)NC(=O)c3ccncc3

258735

PDB entries from 2026-08-26

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