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52P

Summary
Name:5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one
Formula:C19 H9 Cl2 F2 N3 O S
Formal charge:0
Formula weight:436.262 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one
OpenEye OEToolkits1.5.05-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanyl-pyridazino[6,1-f]pyrimidin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc4ccc(SC1=NN2C(C=C1)=C(C(=O)N=C2)c3c(Cl)cccc3Cl)c(F)c4
SMILES_CANONICALCACTVS3.341Fc1ccc(SC2=NN3C=NC(=O)C(=C3C=C2)c4c(Cl)cccc4Cl)c(F)c1
SMILESCACTVS3.341Fc1ccc(SC2=NN3C=NC(=O)C(=C3C=C2)c4c(Cl)cccc4Cl)c(F)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
InChIInChI1.03InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
InChIKeyInChI1.03VEPKQEUBKLEPRA-UHFFFAOYSA-N

223790

PDB entries from 2024-08-14

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