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120

Summary
Name:2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Formula:C13 H12 N5 O
Formal charge:1
Formula weight:254.267 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04amino[2-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzimidazol-5-yl]methaniminium
OpenEye OEToolkits1.5.0[amino-[2-(2-oxo-1H-pyridin-3-yl)-1H-benzimidazol-5-yl]methylidene]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C3NC=CC=C3c2nc1cc(ccc1n2)\C(=[NH2+])N
SMILES_CANONICALCACTVS3.341NC(=[NH2+])c1ccc2[nH]c(nc2c1)C3=CC=CNC3=O
SMILESCACTVS3.341NC(=[NH2+])c1ccc2[nH]c(nc2c1)C3=CC=CNC3=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O
InChIInChI1.03InChI=1S/C13H11N5O/c14-11(15)7-3-4-9-10(6-7)18-12(17-9)8-2-1-5-16-13(8)19/h1-6H,(H3,14,15)(H,16,19)(H,17,18)/p+1
InChIKeyInChI1.03PUOKYJMONGPAIM-UHFFFAOYSA-O

218853

PDB entries from 2024-04-24

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