
 SCHEMBL1615598

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M  END

>  <Chemical Name>
SCHEMBL1615598

>  <PubChem CID>
53373847

>  <Formula>
C21H23N5O5

>  <Molecular Weight>
425.445000

>  <IUPAC Name>
1-[(2,3-dihydroxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(N(C3=O)CC4=C(C(=CC=C4)O)O)(C)C

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(N(C3=O)CC4=C(C(=CC=C4)O)O)(C)C

>  <InChI Std. ID>
InChI=1S/C21H23N5O5/c1-12-16(13(2)31-23-12)11-24-10-15(8-22-24)26-19(29)21(3,4)25(20(26)30)9-14-6-5-7-17(27)18(14)28/h5-8,10,27-28H,9,11H2,1-4H3

>  <InChI Key>
BFBRLCWLVFUVJK-UHFFFAOYSA-N

