HKM

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Summary

Name:2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
Formula:C16 H12 N4 O S
Formal charge:0
Molecular weight:308.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
OpenEye OEToolkits2.0.62-[2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl]oxybenzenecarbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(c(C#N)cc1)Oc2cccnc2Nc3nc(C)cs3
InChIInChI1.03InChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20)
InChIKeyInChI1.03KPJJEXKLZAXHEE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1csc(Nc2ncccc2Oc3ccccc3C#N)n1
SMILESCACTVS3.385Cc1csc(Nc2ncccc2Oc3ccccc3C#N)n1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N
SMILESOpenEye OEToolkits2.0.6Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N