
 MLS001160878

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M  END

>  <Chemical Name>
MLS001160878

>  <PubChem CID>
24981189

>  <Formula>
C20H23N3O5

>  <Molecular Weight>
385.420000

>  <IUPAC Name>
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] (E)-3-phenylprop-2-enoate

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C=CC2=CC=CC=C2)N

>  <Isomeric SMILES>
CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)/C=C/C2=CC=CC=C2)N

>  <InChI Std. ID>
InChI=1S/C20H23N3O5/c1-13(2)11-23-18(21)17(19(26)22(3)20(23)27)15(24)12-28-16(25)10-9-14-7-5-4-6-8-14/h4-10,13H,11-12,21H2,1-3H3/b10-9+

>  <InChI Key>
IPUPBUPXRBNEAZ-MDZDMXLPSA-N

