
 CHEMBL3718686

 60 63  0  0  0  0  0  0  0  0999 V2000
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    1.9115    0.2017    0.7679 H   0  0  0  0  0
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    5.9511    1.8592    1.6435 H   0  0  0  0  0
    5.7250    3.5616    1.7756 H   0  0  0  0  0
    9.4667    3.3429   -0.0770 H   0  0  0  0  0
    6.7145    7.4494    0.1753 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3718686

>  <PubChem CID>
90242454

>  <Formula>
C23H29N3O5

>  <Molecular Weight>
427.501000

>  <IUPAC Name>
N,N-diethyl-2-[[4-oxo-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl]oxy]acetamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)C(=O)COC1=CC2=C(C=C1)C3=CC(=NC(=O)N3CC2)OCC4CCCO4

>  <Isomeric SMILES>
CCN(CC)C(=O)COC1=CC2=C(C=C1)C3=CC(=NC(=O)N3CC2)OCC4CCCO4

>  <InChI Std. ID>
InChI=1S/C23H29N3O5/c1-3-25(4-2)22(27)15-30-17-7-8-19-16(12-17)9-10-26-20(19)13-21(24-23(26)28)31-14-18-6-5-11-29-18/h7-8,12-13,18H,3-6,9-11,14-15H2,1-2H3

>  <InChI Key>
DGKCTHOSOSDAJB-UHFFFAOYSA-N

