
 MLS000686201

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M  END

>  <Chemical Name>
MLS000686201

>  <PubChem CID>
16194809

>  <Formula>
C17H18N6O2S

>  <Molecular Weight>
370.431000

>  <IUPAC Name>
N-(oxolan-2-ylmethyl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC(OC1)CNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4

>  <Isomeric SMILES>
C1CC(OC1)CNC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C17H18N6O2S/c24-16(19-10-12-4-3-9-25-12)11-26-17-21-20-15-7-6-14(22-23(15)17)13-5-1-2-8-18-13/h1-2,5-8,12H,3-4,9-11H2,(H,19,24)

>  <InChI Key>
AAQYLQAZDRXQKV-UHFFFAOYSA-N

