
 MLS-0437226.0001

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M  END

>  <Chemical Name>
MLS-0437226.0001

>  <PubChem CID>
17446092

>  <Formula>
C19H26N4OS

>  <Molecular Weight>
358.504000

>  <IUPAC Name>
2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)C(C)C

>  <Isomeric SMILES>
CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)C(C)C

>  <InChI Std. ID>
InChI=1S/C19H26N4OS/c1-12(2)19(24)23-10-8-22(9-11-23)17-16-14-6-4-5-7-15(14)25-18(16)21-13(3)20-17/h12H,4-11H2,1-3H3

>  <InChI Key>
CDFBPUHOZFSRSQ-UHFFFAOYSA-N

