Taminadenant
  -molcms-06152611452D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.8660    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9706   -1.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487   -1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4487   -0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796   -0.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5116   -0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1808   -0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6808   -1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7026   -1.4945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <ProductName>
Taminadenant

>  <CASNumber>
1337962-47-6

>  <MolecularFormula>
C10H8BrN7

>  <MDLNo>
MFCD30489281

>  <MolWt>
306.12

>  <BoilingPoint>
574.9��60.0 ��C at 760 mmHg

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
BrC1=C(N)N=C(N=C1N1C=CC=N1)N1C=CC=N1

$$$$
