
 MLS000072923

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M  END

>  <Chemical Name>
MLS000072923

>  <PubChem CID>
652081

>  <Formula>
C24H24N6O3

>  <Molecular Weight>
444.495000

>  <IUPAC Name>
2-imino-10-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NCC5CCCO5

>  <Isomeric SMILES>
CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NCC5CCCO5

>  <InChI Std. ID>
InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(23(31)27-13-17-7-4-10-33-17)20(25)30(22)14-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)

>  <InChI Key>
AFJDCYRFFYKKSA-UHFFFAOYSA-N

