
 CHEMBL572825

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.1361    0.0544    1.7508 C   0  0  0  0  0
    1.3879    0.1504    0.2406 C   0  0  0  0  0
    0.0844    0.4436   -0.5098 C   0  0  0  0  0
    2.4602    1.1821   -0.1041 C   0  0  0  0  0
    2.2662    2.5126    0.3366 C   0  0  0  0  0
    3.2108    3.5106    0.1021 C   0  0  0  0  0
    4.3742    3.2066   -0.5862 C   0  0  0  0  0
    4.5822    1.9069   -1.0476 C   0  0  0  0  0
    3.6396    0.8785   -0.8288 C   0  0  0  0  0
    3.9742   -0.4444   -1.3621 C   0  0  0  0  0
    5.1631   -1.1341   -1.5132 C   0  0  0  0  0
    4.8449   -2.3706   -2.1234 C   0  0  0  0  0
    3.4789   -2.3705   -2.3175 C   0  0  0  0  0
    2.9557   -1.1826   -1.8928 O   0  0  0  0  0
    2.5792   -3.3555   -2.8414 C   0  0  0  0  0
    3.0197   -4.4887   -3.2908 N   0  0  0  0  0
    1.9559   -5.2976   -3.7158 N   0  0  0  0  0
    2.3622   -6.3227   -4.3933 C   0  0  0  0  0
    3.6487   -6.6010   -4.7146 N   0  0  0  0  0
    1.5254   -7.2650   -4.8810 N   0  0  0  0  0
    2.0673   -0.1622    2.2861 H   0  0  0  0  0
    0.4297   -0.7546    1.9681 H   0  0  0  0  0
    0.7157    0.9761    2.1652 H   0  0  0  0  0
    1.7106   -0.8510   -0.0480 H   0  0  0  0  0
   -0.3688    1.3884   -0.1890 H   0  0  0  0  0
   -0.6493   -0.3504   -0.3336 H   0  0  0  0  0
    0.2574    0.5073   -1.5899 H   0  0  0  0  0
    1.3626    2.7843    0.8789 H   0  0  0  0  0
    3.0345    4.5216    0.4596 H   0  0  0  0  0
    5.1176    3.9768   -0.7722 H   0  0  0  0  0
    5.4970    1.7025   -1.6010 H   0  0  0  0  0
    6.1410   -0.7899   -1.2067 H   0  0  0  0  0
    5.5195   -3.1761   -2.3780 H   0  0  0  0  0
    1.5014   -3.1137   -2.8364 H   0  0  0  0  0
    4.2355   -5.9436   -4.2031 H   0  0  0  0  0
    3.8951   -7.5541   -4.4811 H   0  0  0  0  0
    0.5594   -6.9619   -4.8179 H   0  0  0  0  0
    1.7681   -7.5361   -5.8260 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL572825

>  <PubChem CID>
44542326

>  <Formula>
C15H18N4O

>  <Molecular Weight>
270.336000

>  <IUPAC Name>
2-[(E)-[5-(2-propan-2-ylphenyl)furan-2-yl]methylideneamino]guanidine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1=CC=CC=C1C2=CC=C(O2)C=NN=C(N)N

>  <Isomeric SMILES>
CC(C)C1=CC=CC=C1C2=CC=C(O2)/C=N/N=C(N)N

>  <InChI Std. ID>
InChI=1S/C15H18N4O/c1-10(2)12-5-3-4-6-13(12)14-8-7-11(20-14)9-18-19-15(16)17/h3-10H,1-2H3,(H4,16,17,19)/b18-9+

>  <InChI Key>
BEBUIPLXSYFAAX-GIJQJNRQSA-N

