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H06

Summary
Name:(E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
Formula:C14 H13 N5 O
Formal charge:0
Formula weight:267.286 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.024-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}benzenecarboximidamide
OpenEye OEToolkits1.6.1N-[(E)-(4-carbamimidoylphenyl)methylideneamino]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(N\N=C\c1ccc(C(=[N@H])N)cc1)c2cccnc2
SMILES_CANONICALCACTVS3.352NC(=N)c1ccc(cc1)/C=N/NC(=O)c2cccnc2
SMILESCACTVS3.352NC(=N)c1ccc(cc1)C=NNC(=O)c2cccnc2
SMILES_CANONICALOpenEye OEToolkits1.7.0[H]/N=C(/c1ccc(cc1)/C=N/NC(=O)c2cccnc2)\N
SMILESOpenEye OEToolkits1.7.0c1cc(cnc1)C(=O)NN=Cc2ccc(cc2)C(=N)N
InChIInChI1.03InChI=1S/C14H13N5O/c15-13(16)11-5-3-10(4-6-11)8-18-19-14(20)12-2-1-7-17-9-12/h1-9H,(H3,15,16)(H,19,20)/b18-8+
InChIKeyInChI1.03DDBLYJHCQJAIJN-QGMBQPNBSA-N

218500

PDB entries from 2024-04-17

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