
 CHEMBL1951021

 60 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1951021

>  <PubChem CID>
57399344

>  <Formula>
C21H28N4O6S

>  <Molecular Weight>
464.537000

>  <IUPAC Name>
propan-2-yl 4-[5-methyl-6-(2-methyl-6-methylsulfonylpyridin-3-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=C(N=C(C=C3)S(=O)(=O)C)C

>  <Isomeric SMILES>
CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=C(N=C(C=C3)S(=O)(=O)C)C

>  <InChI Std. ID>
InChI=1S/C21H28N4O6S/c1-13(2)29-21(26)25-10-8-16(9-11-25)30-19-14(3)20(23-12-22-19)31-17-6-7-18(24-15(17)4)32(5,27)28/h6-7,12-13,16H,8-11H2,1-5H3

>  <InChI Key>
IEPIPSYKEORVPM-UHFFFAOYSA-N

