
 CHEMBL3248393

 38 37  0  0  0  0  0  0  0  0999 V2000
    4.9431    1.5129    3.3603 C   0  0  0  0  0
    4.6871    0.7516    2.0968 C   0  0  0  0  0
    4.1046    1.2090    0.9287 C   0  0  0  0  0
    4.0521    0.1942    0.0423 N   0  0  0  0  0
    4.6071   -0.8586    0.6818 C   0  0  0  0  0
    5.0002   -0.5425    1.9310 N   0  0  0  0  0
    3.5934    2.5872    0.6389 C   0  0  0  0  0
    4.9709    3.7819    0.6963 S   0  0  0  0  0
    3.9298    5.2303    0.3170 C   0  0  0  0  0
    4.7987    6.4881    0.3083 C   0  0  0  0  0
    4.0126    7.6684   -0.0002 N   0  0  0  0  0
    4.6005    8.9797   -0.0746 C   0  0  0  0  0
    3.8704   10.0131   -0.3613 N   0  0  0  0  0
    2.4499    9.9754   -0.6276 C   0  0  0  0  0
    6.0105    9.1503    0.1688 N   0  0  0  0  0
    6.6601   10.3533    0.1181 C   0  0  0  0  0
    6.0569   11.3837   -0.1456 O   0  0  0  0  0
    7.9912   10.4121    0.3623 N   0  0  0  0  0
    1.4967    1.4909   -4.5842 Cl  0  0  0  0  0
    4.5888    2.5605    3.2840 H   0  0  0  0  0
    6.0318    1.5162    3.5753 H   0  0  0  0  0
    4.4078    1.0224    4.1994 H   0  0  0  0  0
    4.7206   -1.8405    0.2420 H   0  0  0  0  0
    5.4519   -1.1777    2.6258 H   0  0  0  0  0
    2.8203    2.8435    1.3938 H   0  0  0  0  0
    3.1553    2.5953   -0.3821 H   0  0  0  0  0
    3.1470    5.3425    1.0983 H   0  0  0  0  0
    3.4718    5.1040   -0.6878 H   0  0  0  0  0
    5.5935    6.3664   -0.4597 H   0  0  0  0  0
    5.2643    6.6074    1.3111 H   0  0  0  0  0
    3.0039    7.5493   -0.1724 H   0  0  0  0  0
    2.0963   11.0045   -0.8431 H   0  0  0  0  0
    1.9008    9.5953    0.2602 H   0  0  0  0  0
    2.2406    9.3406   -1.5151 H   0  0  0  0  0
    6.5736    8.3195    0.3957 H   0  0  0  0  0
    8.5247    9.5594    0.5870 H   0  0  0  0  0
    8.4881   11.3147    0.3258 H   0  0  0  0  0
    1.8705    0.5500   -3.6530 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 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
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 15  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3248393

>  <PubChem CID>
90673271

>  <Formula>
C10H19ClN6OS

>  <Molecular Weight>
306.813000

>  <IUPAC Name>
[N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]urea;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N=CN1)CSCCNC(=NC)NC(=O)N.Cl

>  <Isomeric SMILES>
CC1=C(N=CN1)CSCCNC(=NC)NC(=O)N.Cl

>  <InChI Std. ID>
InChI=1S/C10H18N6OS.ClH/c1-7-8(15-6-14-7)5-18-4-3-13-10(12-2)16-9(11)17;/h6H,3-5H2,1-2H3,(H,14,15)(H4,11,12,13,16,17);1H

>  <InChI Key>
BPIWACKEWAVKDH-UHFFFAOYSA-N

