
 CHEMBL1077862

 32 32  0  0  0  0  0  0  0  0999 V2000
    4.8929    3.7183    0.6782 C   0  0  0  0  0
    4.0304    3.1723    1.7130 N   0  0  0  0  0
    2.9250    2.5948    1.3756 C   0  0  0  0  0
    2.4328    2.4612    0.1038 N   0  0  0  0  0
    1.0217    2.4066   -0.2475 C   0  0  0  0  0
    0.3743    3.7841   -0.1032 C   0  0  0  0  0
   -1.1463    3.6892   -0.2306 C   0  0  0  0  0
   -1.8086    5.0624   -0.1102 C   0  0  0  0  0
   -3.2889    4.9407   -0.0537 C   0  0  0  0  0
   -4.1626    4.8480    1.0088 C   0  0  0  0  0
   -5.4558    4.7365    0.5710 N   0  0  0  0  0
   -5.3825    4.7624   -0.7390 C   0  0  0  0  0
   -4.0916    4.8896   -1.1662 N   0  0  0  0  0
    2.1662    2.1089    2.4013 N   0  0  0  0  0
    1.9335    0.6776    2.3682 C   0  0  0  0  0
    1.7151   -0.4601    2.3757 N   0  0  0  0  0
    5.7919    4.1310    1.1465 H   0  0  0  0  0
    4.4020    4.5334    0.1366 H   0  0  0  0  0
    5.2175    2.9445   -0.0252 H   0  0  0  0  0
    2.9948    2.9020   -0.6141 H   0  0  0  0  0
    0.4917    1.6626    0.3543 H   0  0  0  0  0
    0.9376    2.0735   -1.2888 H   0  0  0  0  0
    0.7776    4.4609   -0.8666 H   0  0  0  0  0
    0.6261    4.2226    0.8702 H   0  0  0  0  0
   -1.5300    3.0220    0.5523 H   0  0  0  0  0
   -1.4119    3.2315   -1.1920 H   0  0  0  0  0
   -1.5150    5.6938   -0.9576 H   0  0  0  0  0
   -1.4568    5.5684    0.7973 H   0  0  0  0  0
   -3.9276    4.8510    2.0656 H   0  0  0  0  0
   -6.2186    4.6934   -1.4219 H   0  0  0  0  0
   -3.7912    4.9316   -2.1300 H   0  0  0  0  0
    2.6353    2.3564    3.2657 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  2  0  0  0
  3 14  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL1077862

>  <PubChem CID>
11983344

>  <Formula>
C10H16N6

>  <Molecular Weight>
220.280000

>  <IUPAC Name>
1-cyano-3-[4-(1H-imidazol-5-yl)butyl]-2-methylguanidine

>  <XlogP>
0.000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN=C(NCCCCC1=CN=CN1)NC#N

>  <Isomeric SMILES>
CN=C(NCCCCC1=CN=CN1)NC#N

>  <InChI Std. ID>
InChI=1S/C10H16N6/c1-12-10(15-7-11)14-5-3-2-4-9-6-13-8-16-9/h6,8H,2-5H2,1H3,(H,13,16)(H2,12,14,15)

>  <InChI Key>
SESBNJZEWNWYQM-UHFFFAOYSA-N

