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RNK

Summary
Name:4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
Formula:C11 H12 Cl N3 O S
Formal charge:0
Formula weight:269.75 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-8-5-14-15(2)11(16)10(8)12/h3-5,13H,6H2,1-2H3
InChIKeyInChI1.03UTXFLBKLCRBXBW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1N=CC(=C(Cl)C1=O)NCc2sccc2C
SMILESCACTVS3.385CN1N=CC(=C(Cl)C1=O)NCc2sccc2C
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl
SMILESOpenEye OEToolkits2.0.6Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl

217157

PDB entries from 2024-03-13

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