
 CID 44350012

 51 52  0  0  0  0  0  0  0  0999 V2000
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    3.6853    1.8167    1.1289 C   0  0  0  0  0
    3.9801    2.7624    2.0338 C   0  0  0  0  0
    4.6454    2.5305    3.2220 N   0  0  0  0  0
    5.0783    1.3128    3.4903 C   0  0  0  0  0
    5.6889    1.0475    4.7174 N   0  0  0  0  0
    6.0278   -0.2977    5.1938 C   0  0  0  0  0
    7.5256   -0.5884    4.9584 C   0  0  0  0  0
    8.4108    0.4171    5.5975 N   0  0  0  0  0
    8.0152    1.7676    5.1323 C   0  0  0  0  0
    6.5164    2.0865    5.3508 C   0  0  0  0  0
   -0.2859    0.4814   -2.2438 C   0  0  0  0  0
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    1.0338    4.0272    2.7899 H   0  0  0  0  0
    1.8612   -0.0921   -4.5436 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CID 44350012

>  <PubChem CID>
44350012

>  <Formula>
C17H25N5O4

>  <Molecular Weight>
363.418000

>  <IUPAC Name>
(Z)-hex-3-enedioic acid;3-methyl-8-piperazin-1-yl-2,3-dihydroimidazo[1,2-a]pyrazine

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN=C2N1C=CN=C2N3CCNCC3.C(C=CCC(=O)O)C(=O)O

>  <Isomeric SMILES>
CC1CN=C2N1C=CN=C2N3CCNCC3.C(/C=C\CC(=O)O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C11H17N5.C6H8O4/c1-9-8-14-11-10(13-4-7-16(9)11)15-5-2-12-3-6-15;7-5(8)3-1-2-4-6(9)10/h4,7,9,12H,2-3,5-6,8H2,1H3;1-2H,3-4H2,(H,7,8)(H,9,10)/b;2-1-

>  <InChI Key>
DDLRSDUTHPWRGU-BTJKTKAUSA-N

