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M  END

>  <Chemical Name>
MLS-0437148.0001

>  <PubChem CID>
3151387

>  <Formula>
C23H27N5O2

>  <Molecular Weight>
405.502000

>  <IUPAC Name>
N,1-dicyclopentyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NC5CCCC5)C=C1

>  <Isomeric SMILES>
CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NC5CCCC5)C=C1

>  <InChI Std. ID>
InChI=1S/C23H27N5O2/c1-14-10-11-19-26-21-18(23(30)27(19)13-14)12-17(22(29)25-15-6-2-3-7-15)20(24)28(21)16-8-4-5-9-16/h10-13,15-16,24H,2-9H2,1H3,(H,25,29)

>  <InChI Key>
DWDPGNXYRREXDD-UHFFFAOYSA-N

