
 CHEMBL3248392

 34 33  0  0  0  0  0  0  0  0999 V2000
    2.1682    0.9045   -2.8535 C   0  0  0  0  0
    2.8389    0.5079   -1.5767 C   0  0  0  0  0
    3.1249    1.3175   -0.4961 C   0  0  0  0  0
    3.7329    0.5783    0.4542 N   0  0  0  0  0
    3.8068   -0.6667   -0.0661 C   0  0  0  0  0
    3.2694   -0.7327   -1.3000 N   0  0  0  0  0
    2.8276    2.7782   -0.3510 C   0  0  0  0  0
    4.3901    3.6894   -0.1261 S   0  0  0  0  0
    3.5891    5.3231    0.0015 C   0  0  0  0  0
    4.6547    6.3993    0.2133 C   0  0  0  0  0
    4.0538    7.7150    0.3247 N   0  0  0  0  0
    4.8473    8.8952    0.5296 C   0  0  0  0  0
    4.2975   10.0625    0.6385 N   0  0  0  0  0
    2.8748   10.3111    0.5704 C   0  0  0  0  0
    6.2639    8.8050    0.6192 N   0  0  0  0  0
    1.5302    0.9523    4.4672 Cl  0  0  0  0  0
    2.7647    1.6923   -3.3593 H   0  0  0  0  0
    1.1519    1.2941   -2.6363 H   0  0  0  0  0
    2.0799    0.0303   -3.5320 H   0  0  0  0  0
    4.2461   -1.5108    0.4487 H   0  0  0  0  0
    3.2042   -1.5775   -1.9103 H   0  0  0  0  0
    2.1777    2.9116    0.5394 H   0  0  0  0  0
    2.3144    3.1509   -1.2618 H   0  0  0  0  0
    2.8974    5.3299    0.8715 H   0  0  0  0  0
    3.0425    5.5435   -0.9408 H   0  0  0  0  0
    5.3547    6.3859   -0.6506 H   0  0  0  0  0
    5.2143    6.1714    1.1468 H   0  0  0  0  0
    3.0287    7.7931    0.2560 H   0  0  0  0  0
    2.3494    9.7698    1.3859 H   0  0  0  0  0
    2.6920   11.3979    0.6976 H   0  0  0  0  0
    2.4762   10.0019   -0.4193 H   0  0  0  0  0
    6.7542    7.9043    0.5394 H   0  0  0  0  0
    6.8249    9.6569    0.7666 H   0  0  0  0  0
    1.8887   -0.3609    4.2688 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
  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 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
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 15  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3248392

>  <PubChem CID>
90673270

>  <Formula>
C9H18ClN5S

>  <Molecular Weight>
263.788000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C9H17N5S.ClH/c1-7-8(14-6-13-7)5-15-4-3-12-9(10)11-2;/h6H,3-5H2,1-2H3,(H,13,14)(H3,10,11,12);1H

>  <InChI Key>
ODQHSUJLYYKPQU-UHFFFAOYSA-N

