
 CHEMBL3716446

 56 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3716446

>  <PubChem CID>
89645206

>  <Formula>
C24H25N3O4

>  <Molecular Weight>
419.481000

>  <IUPAC Name>
2-(1,4-dioxan-2-ylmethoxy)-9-(2-pyridin-2-ylethyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN2C(=CC(=NC2=O)OCC3COCCO3)C4=C1C=C(C=C4)CCC5=CC=CC=N5

>  <Isomeric SMILES>
C1CN2C(=CC(=NC2=O)OCC3COCCO3)C4=C1C=C(C=C4)CCC5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C24H25N3O4/c28-24-26-23(31-16-20-15-29-11-12-30-20)14-22-21-7-5-17(13-18(21)8-10-27(22)24)4-6-19-3-1-2-9-25-19/h1-3,5,7,9,13-14,20H,4,6,8,10-12,15-16H2

>  <InChI Key>
CMMVXNAUFZNASV-UHFFFAOYSA-N

