
 CID 73919914

 50 51  0  0  0  0  0  0  0  0999 V2000
    0.0475    1.2250    1.4374 C   0  0  0  0  0
   -1.3639    1.0465    0.8643 C   0  0  0  0  0
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   -0.5667   -1.3043    0.4450 C   0  0  0  0  0
    0.6693   -0.9191    0.4871 N   0  0  0  0  0
    1.0349    0.4827    0.5488 C   0  0  0  0  0
   -0.8806   -2.6845    0.2885 N   0  0  0  0  0
    0.1609   -3.6876    0.1731 C   0  0  0  0  0
   -0.4420   -5.0856    0.0021 C   0  0  0  0  0
    0.6514   -6.1499   -0.1312 C   0  0  0  0  0
    0.0406   -7.4724   -0.2965 N   0  0  0  0  0
    1.0652   -8.5195   -0.3890 C   0  0  0  0  0
    0.4104   -9.8989   -0.5392 C   0  0  0  0  0
   -0.4718  -10.2584    0.6637 C   0  0  0  0  0
   -1.1248  -11.6314    0.4290 C   0  0  0  0  0
   -0.1293  -12.6346   -0.1034 C   0  0  0  0  0
   -0.4367  -14.0022   -0.1109 C   0  0  0  0  0
    0.4950  -14.9268   -0.5930 C   0  0  0  0  0
    1.7337  -14.4904   -1.0739 C   0  0  0  0  0
    2.0411  -13.1262   -1.0873 C   0  0  0  0  0
    1.1106  -12.1935   -0.6166 C   0  0  0  0  0
    1.3962  -10.8669   -0.6691 O   0  0  0  0  0
    1.5853   -1.3039   -3.9476 Cl  0  0  0  0  0
    0.0921    0.7668    2.4505 H   0  0  0  0  0
    0.2977    2.3037    1.5265 H   0  0  0  0  0
   -1.5052    1.6509   -0.0575 H   0  0  0  0  0
   -2.0843    1.4007    1.6324 H   0  0  0  0  0
   -2.5886   -0.6346    0.3218 H   0  0  0  0  0
    2.0684    0.5776    0.9429 H   0  0  0  0  0
    1.0081    0.9154   -0.4753 H   0  0  0  0  0
   -1.8722   -2.9673    0.2535 H   0  0  0  0  0
    0.7918   -3.6673    1.0888 H   0  0  0  0  0
    0.7954   -3.4529   -0.7098 H   0  0  0  0  0
   -1.0773   -5.0962   -0.9109 H   0  0  0  0  0
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    1.2784   -6.1380    0.7883 H   0  0  0  0  0
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    1.7000   -8.5154    0.5255 H   0  0  0  0  0
    1.7160   -8.3335   -1.2734 H   0  0  0  0  0
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    0.1865  -10.3158    1.5597 H   0  0  0  0  0
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   -1.5461  -11.9668    1.4014 H   0  0  0  0  0
   -1.3907  -14.3494    0.2663 H   0  0  0  0  0
    0.2580  -15.9829   -0.5909 H   0  0  0  0  0
    2.4524  -15.2096   -1.4448 H   0  0  0  0  0
    2.9951  -12.7929   -1.4756 H   0  0  0  0  0
    2.0868   -0.2462   -3.2251 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
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 16 17  2  0  0  0
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M  END

>  <Chemical Name>
CID 73919914

>  <PubChem CID>
73919914

>  <Formula>
C17H27ClN4O

>  <Molecular Weight>
338.880000

>  <IUPAC Name>
N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNC(=NC1)NCCCNCC2CCC3=CC=CC=C3O2.Cl

>  <Isomeric SMILES>
C1CNC(=NC1)NCCCNCC2CCC3=CC=CC=C3O2.Cl

>  <InChI Std. ID>
InChI=1S/C17H26N4O.ClH/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17;/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21);1H

>  <InChI Key>
BHFNHKKGGQTOBO-UHFFFAOYSA-N

