
 CID 44350063

 48 49  0  0  0  0  0  0  0  0999 V2000
    1.5721    1.4723   -1.3846 C   0  0  0  0  0
   -0.2855    1.1378   -1.9235 C   0  0  0  0  0
   -1.0883   -0.4067   -1.2363 N   0  0  0  0  0
   -0.3813   -1.3559    0.2125 C   0  0  0  0  0
    1.5016   -0.9744    0.6716 C   0  0  0  0  0
    2.4242    0.3772   -0.1645 N   0  0  0  0  0
   -2.4587   -0.6023   -1.4460 C   0  0  0  0  0
   -3.1378   -1.3759   -0.6222 N   0  0  0  0  0
   -4.4848   -1.5753   -0.8486 C   0  0  0  0  0
   -5.1648   -1.0662   -1.8876 C   0  0  0  0  0
   -4.5294   -0.2801   -2.8061 N   0  0  0  0  0
   -3.2069    0.0431   -2.6388 C   0  0  0  0  0
   -2.6792    0.8795   -3.4977 N   0  0  0  0  0
   -3.7958    1.1339   -4.4621 C   0  0  0  0  0
   -5.0616    0.4396   -3.9254 C   0  0  0  0  0
    0.2249    0.7079    0.1304 C   0  0  0  0  0
    0.4468    2.2046    0.7162 C   0  0  0  0  0
   -0.5047    3.1508    0.8399 C   0  0  0  0  0
   -0.2414    4.5187    1.4026 C   0  0  0  0  0
   -0.5108    4.5569    2.8899 C   0  0  0  0  0
   -1.5227    4.1912    3.4651 O   0  0  0  0  0
    0.5198    5.0785    3.5876 O   0  0  0  0  0
    0.9509   -0.5683   -1.3907 C   0  0  0  0  0
    1.2641   -0.3746   -2.5865 O   0  0  0  0  0
    1.0955   -1.9471   -1.2842 O   0  0  0  0  0
    2.2250    1.4337   -2.2740 H   0  0  0  0  0
    1.7135    2.5186   -1.0821 H   0  0  0  0  0
   -0.3131    1.0450   -3.0165 H   0  0  0  0  0
   -0.9198    1.9782   -1.6168 H   0  0  0  0  0
   -1.0228   -1.1182    1.0766 H   0  0  0  0  0
   -0.5263   -2.4235   -0.0115 H   0  0  0  0  0
    1.5826   -0.7666    1.7528 H   0  0  0  0  0
    2.1283   -1.8719    0.5436 H   0  0  0  0  0
    2.7448    0.9901    0.5878 H   0  0  0  0  0
   -4.9952   -2.1930   -0.1152 H   0  0  0  0  0
   -6.2232   -1.2390   -2.0422 H   0  0  0  0  0
   -3.9548    2.2115   -4.5705 H   0  0  0  0  0
   -3.5168    0.7285   -5.4412 H   0  0  0  0  0
   -5.5025   -0.2236   -4.6766 H   0  0  0  0  0
   -5.8076    1.1767   -3.6109 H   0  0  0  0  0
    0.2654    0.3526    1.1757 H   0  0  0  0  0
   -0.8818    0.8228    0.1572 H   0  0  0  0  0
    1.4314    2.4285    1.1248 H   0  0  0  0  0
   -1.5282    2.9498    0.5271 H   0  0  0  0  0
   -0.8812    5.2614    0.9145 H   0  0  0  0  0
    0.7957    4.8164    1.2086 H   0  0  0  0  0
    0.2210    5.0321    4.5200 H   0  0  0  0  0
    1.3605   -2.1375   -2.2113 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
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 23 24  2  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
CID 44350063

>  <PubChem CID>
44350063

>  <Formula>
C16H23N5O4

>  <Molecular Weight>
349.391000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCN1)C2=NC=CN3C2=NCC3.C(C=CCC(=O)O)C(=O)O

>  <Isomeric SMILES>
C1CN(CCN1)C2=NC=CN3C2=NCC3.C(/C=C\CC(=O)O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C10H15N5.C6H8O4/c1-5-14(6-2-11-1)9-10-13-4-8-15(10)7-3-12-9;7-5(8)3-1-2-4-6(9)10/h3,7,11H,1-2,4-6,8H2;1-2H,3-4H2,(H,7,8)(H,9,10)/b;2-1-

>  <InChI Key>
LLUXOROSHNQJLR-BTJKTKAUSA-N

