Denibulin.cdx
csChFnd80/03141310372D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8329    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4306    1.6601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2535    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4306    3.9253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6486    2.7927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3462    1.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6486    0.3763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7413    1.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4389    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  1  0  0  0
  8 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1)
24

>  <Formula> (1)
C18H19N5O3S

>  <MolWeight> (1)
385.44016

>  <Item Name> (1)
Denibulin (MN-029)

>  <Catalog Number> (1)
S1461

>  <Synonyms> (1)
MN-029

>  <Target> (1)
VDA

>  <URL> (1)
http://www.selleckchem.com/products/Denibulin.html

>  <CAS Number> (1)
284019-34-7, 779356-64-8 (HCl)

$$$$
