
 BURIMAMIDE

 30 30  0  0  0  0  0  0  0  0999 V2000
    3.8148    5.4904    2.1806 C   0  0  0  0  0
    3.3975    4.1091    2.2578 N   0  0  0  0  0
    3.8496    3.0416    1.5419 C   0  0  0  0  0
    3.2589    1.5349    1.9449 S   0  0  0  0  0
    4.7572    3.3234    0.5643 N   0  0  0  0  0
    5.4474    2.3848   -0.3129 C   0  0  0  0  0
    6.9124    2.2049    0.0863 C   0  0  0  0  0
    7.7220    3.4962   -0.0716 C   0  0  0  0  0
    9.2065    3.2694    0.2218 C   0  0  0  0  0
    9.9789    4.5337    0.0906 C   0  0  0  0  0
   10.6137    5.1224   -0.9818 C   0  0  0  0  0
   11.1919    6.3104   -0.6177 N   0  0  0  0  0
   10.9264    6.4480    0.6601 C   0  0  0  0  0
   10.1966    5.3966    1.1361 N   0  0  0  0  0
    3.3801    6.0328    3.0229 H   0  0  0  0  0
    3.4608    5.9176    1.2395 H   0  0  0  0  0
    4.9052    5.5486    2.2272 H   0  0  0  0  0
    2.7015    3.8691    2.9559 H   0  0  0  0  0
    4.9335    4.2980    0.3768 H   0  0  0  0  0
    5.3759    2.7880   -1.3286 H   0  0  0  0  0
    4.9464    1.4134   -0.3121 H   0  0  0  0  0
    7.3519    1.4247   -0.5469 H   0  0  0  0  0
    6.9774    1.8556    1.1239 H   0  0  0  0  0
    7.3290    4.2661    0.6042 H   0  0  0  0  0
    7.6028    3.8818   -1.0924 H   0  0  0  0  0
    9.6125    2.5236   -0.4726 H   0  0  0  0  0
    9.3307    2.8614    1.2323 H   0  0  0  0  0
   10.6813    4.7559   -1.9983 H   0  0  0  0  0
   11.2319    7.2755    1.2863 H   0  0  0  0  0
    9.8768    5.2819    2.0878 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
M  END

>  <Chemical Name>
BURIMAMIDE

>  <PubChem CID>
3032915

>  <Formula>
C9H16N4S

>  <Molecular Weight>
212.315000

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

>  <XlogP>
0.400

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CNC(=S)NCCCCC1=CN=CN1

>  <Isomeric SMILES>
CNC(=S)NCCCCC1=CN=CN1

>  <InChI Std. ID>
InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)

>  <InChI Key>
HXRBAVXGYZUSED-UHFFFAOYSA-N

