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MIL

Summary
Name:MILRINONE
Formula:C12 H9 N3 O
Formal charge:0
Formula weight:211.219 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile
OpenEye OEToolkits1.5.06-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#CC1=CC(=C(NC1=O)C)c2ccncc2
SMILES_CANONICALCACTVS3.341CC1=C(C=C(C#N)C(=O)N1)c2ccncc2
SMILESCACTVS3.341CC1=C(C=C(C#N)C(=O)N1)c2ccncc2
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=C(C=C(C(=O)N1)C#N)c2ccncc2
SMILESOpenEye OEToolkits1.5.0CC1=C(C=C(C(=O)N1)C#N)c2ccncc2
InChIInChI1.03InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
InChIKeyInChI1.03PZRHRDRVRGEVNW-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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