
 improgan

 29 29  0  0  0  0  0  0  0  0999 V2000
    4.8375    3.3625    0.7522 C   0  0  0  0  0
    3.9311    2.8502    1.7674 N   0  0  0  0  0
    2.7913    2.3603    1.4081 C   0  0  0  0  0
    2.3041    2.2857    0.1302 N   0  0  0  0  0
    0.8984    2.3627   -0.2392 C   0  0  0  0  0
    0.3800    3.7927   -0.1016 C   0  0  0  0  0
   -1.1234    3.8540   -0.3719 C   0  0  0  0  0
   -1.6331    5.2487   -0.3302 C   0  0  0  0  0
   -1.8656    6.1743   -1.3246 C   0  0  0  0  0
   -2.3466    7.3451   -0.8007 N   0  0  0  0  0
   -2.4115    7.1462    0.4947 C   0  0  0  0  0
   -1.9905    5.8915    0.8293 N   0  0  0  0  0
    1.9945    1.9016    2.4176 N   0  0  0  0  0
    1.6418    0.4977    2.3362 C   0  0  0  0  0
    1.3186   -0.6171    2.3087 N   0  0  0  0  0
    5.7572    3.7045    1.2368 H   0  0  0  0  0
    4.4059    4.2203    0.2263 H   0  0  0  0  0
    5.1170    2.5856    0.0332 H   0  0  0  0  0
    2.9079    2.6970   -0.5725 H   0  0  0  0  0
    0.2906    1.6729    0.3539 H   0  0  0  0  0
    0.8011    2.0386   -1.2819 H   0  0  0  0  0
    0.9206    4.4459   -0.7990 H   0  0  0  0  0
    0.5897    4.1778    0.9044 H   0  0  0  0  0
   -1.6581    3.2444    0.3669 H   0  0  0  0  0
   -1.3421    3.4200   -1.3550 H   0  0  0  0  0
   -1.7147    6.0576   -2.3902 H   0  0  0  0  0
   -2.7522    7.8631    1.2299 H   0  0  0  0  0
   -1.9537    5.5137    1.7656 H   0  0  0  0  0
    2.4852    2.0830    3.2871 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  3 13  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  3  0  0  0
M  END

>  <Chemical Name>
improgan

>  <PubChem CID>
10058807

>  <Formula>
C9H14N6

>  <Molecular Weight>
206.253000

>  <IUPAC Name>
1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine

>  <XlogP>
0.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN=C(NCCCC1=CN=CN1)NC#N

>  <Isomeric SMILES>
CN=C(NCCCC1=CN=CN1)NC#N

>  <InChI Std. ID>
InChI=1S/C9H14N6/c1-11-9(14-6-10)13-4-2-3-8-5-12-7-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,11,13,14)

>  <InChI Key>
CXTGREPICTYOGB-UHFFFAOYSA-N

