
 CHEMBL439141

 45 49  0  0  0  0  0  0  0  0999 V2000
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   -2.3777   -0.6465   -0.3850 C   0  0  0  0  0
   -1.1330   -1.4341    0.0208 C   0  0  0  0  0
    0.0847   -0.6452   -0.2041 N   0  0  0  0  0
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    2.5739    0.6508    0.6507 N   0  0  0  0  0
    1.3650    1.4486    0.3675 C   0  0  0  0  0
    0.0692    0.6178    0.5770 C   0  0  0  0  0
   -1.1548    1.4653    0.1903 C   0  0  0  0  0
    3.7742    1.2989    0.8956 C   0  0  0  0  0
    3.8043    2.6043    1.0133 N   0  0  0  0  0
    5.0018    3.1908    1.2398 C   0  0  0  0  0
    5.3529    4.4502    1.3928 N   0  0  0  0  0
    6.7169    4.3832    1.6067 C   0  0  0  0  0
    7.2300    3.1413    1.6070 N   0  0  0  0  0
    6.1205    2.4292    1.3457 N   0  0  0  0  0
    6.0614    1.0490    1.2295 C   0  0  0  0  0
    4.9050    0.5010    1.0159 N   0  0  0  0  0
    7.2132    0.3142    1.3589 N   0  0  0  0  0
    7.5560    5.5992    1.8232 C   0  0  0  0  0
    7.0990    6.9042    1.8242 C   0  0  0  0  0
    8.2235    7.7325    2.0609 C   0  0  0  0  0
    9.2979    6.8869    2.1909 C   0  0  0  0  0
    8.9072    5.5945    2.0491 O   0  0  0  0  0
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    6.0732    7.2110    1.6687 H   0  0  0  0  0
    8.2471    8.8113    2.1272 H   0  0  0  0  0
   10.3527    7.0362    2.3756 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL439141

>  <PubChem CID>
11772174

>  <Formula>
C16H20N8O

>  <Molecular Weight>
340.391000

>  <IUPAC Name>
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CCN2CCN(CC2C1)C3=NC4=NC(=NN4C(=N3)N)C5=CC=CO5

>  <Isomeric SMILES>
C1CCN2CCN(CC2C1)C3=NC4=NC(=NN4C(=N3)N)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C16H20N8O/c17-14-19-15(23-8-7-22-6-2-1-4-11(22)10-23)20-16-18-13(21-24(14)16)12-5-3-9-25-12/h3,5,9,11H,1-2,4,6-8,10H2,(H2,17,18,19,20,21)

>  <InChI Key>
AXRFXIIGLMCJFC-UHFFFAOYSA-N

