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H29

Summary
Name:6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
Formula:C12 H13 N3 S
Formal charge:0
Formula weight:231.317 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H13N3S/c13-10-1-2-12(14-7-10)15-5-3-11-9(8-15)4-6-16-11/h1-2,4,6-7H,3,5,8,13H2
InChIKeyInChI1.03VEJCYGREDNZFMG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(nc1)N2CCc3sccc3C2
SMILESCACTVS3.385Nc1ccc(nc1)N2CCc3sccc3C2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ncc1N)N2CCc3c(ccs3)C2
SMILESOpenEye OEToolkits2.0.7c1cc(ncc1N)N2CCc3c(ccs3)C2

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PDB entries from 2024-07-17

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