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7EA

Summary
Name:6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
Formula:C14 H14 N4 O2
Formal charge:0
Formula weight:270.287 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H14N4O2/c1-9-15-16-14-7-5-11(17-18(9)14)10-4-6-12(19-2)13(8-10)20-3/h4-8H,1-3H3
InChIKeyInChI1.03SBNMXRKZAVLTHG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1OC)c2ccc3nnc(C)n3n2
SMILESCACTVS3.385COc1ccc(cc1OC)c2ccc3nnc(C)n3n2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC
SMILESOpenEye OEToolkits2.0.6Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC

224931

PDB entries from 2024-09-11

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