
 MLS000662478

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    4.9432   -4.9192   -0.3828 C   0  0  0  0  0
    5.8820   -4.7296   -1.1557 O   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000662478

>  <PubChem CID>
934786

>  <Formula>
C17H16N4OS

>  <Molecular Weight>
324.402000

>  <IUPAC Name>
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NC(=N1)SCC(=O)NC2=CC=NC3=CC=CC=C32)C

>  <Isomeric SMILES>
CC1=CC(=NC(=N1)SCC(=O)NC2=CC=NC3=CC=CC=C32)C

>  <InChI Std. ID>
InChI=1S/C17H16N4OS/c1-11-9-12(2)20-17(19-11)23-10-16(22)21-15-7-8-18-14-6-4-3-5-13(14)15/h3-9H,10H2,1-2H3,(H,18,21,22)

>  <InChI Key>
GIBBLZZAENGNDT-UHFFFAOYSA-N

