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6S0

Summary
Name:2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine
Formula:C15 H15 N3 S
Formal charge:0
Formula weight:269.365 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.52-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H15N3S/c1-10(18-13-4-3-6-16-11(13)2)12-8-15-14(17-9-12)5-7-19-15/h3-10,18H,1-2H3/t10-/m0/s1
InChIKeyInChI1.03BHXCHKMTMFQWLX-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385C[C@H](Nc1cccnc1C)c2cnc3ccsc3c2
SMILESCACTVS3.385C[CH](Nc1cccnc1C)c2cnc3ccsc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1c(cccn1)N[C@@H](C)c2cc3c(ccs3)nc2
SMILESOpenEye OEToolkits2.0.5Cc1c(cccn1)NC(C)c2cc3c(ccs3)nc2

222415

PDB entries from 2024-07-10

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