
 MLS-0240968.0001

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M  END

>  <Chemical Name>
MLS-0240968.0001

>  <PubChem CID>
16009021

>  <Formula>
C21H30N8O2

>  <Molecular Weight>
426.525000

>  <IUPAC Name>
N-[3-(diethylamino)propyl]-4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxobutanamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCN(CC)CCCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C

>  <Isomeric SMILES>
CCN(CC)CCCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C

>  <InChI Std. ID>
InChI=1S/C21H30N8O2/c1-4-28(5-2)14-8-13-22-18(30)11-12-19(31)25-26-21-24-17-10-7-6-9-16(17)20-23-15(3)27-29(20)21/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H,22,30)(H,24,26)(H,25,31)

>  <InChI Key>
AALPWUGBAOXTOC-UHFFFAOYSA-N

