Mol:KOX00181

 
  ISISHOST03240423162D 1   1.00000     0.00000  6005 
 
 17 17  0     0  0            999 V2000 
   -2.1690   -0.1172    0.0000 C   0  0  0  0  0  0           0  0  0 
   -2.9207   -0.4448    0.0000 C   0  0  0  0  0  0           0  0  0 
   -2.2552    0.7103    0.0000 N   0  0  0  0  0  0           0  0  0 
   -1.4517   -0.5276    0.0000 C   0  0  0  0  0  0           0  0  0 
   -3.4724    0.1655    0.0000 N   0  0  0  0  0  0           0  0  0 
   -3.0966   -1.2517    0.0000 C   0  0  0  0  0  0           0  0  0 
   -3.0621    0.8828    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.7379   -0.1172    0.0000 S   0  0  0  0  0  0           0  0  0 
   -0.0241   -0.5276    0.0000 C   0  0  0  0  0  0           0  0  0 
    0.6897   -0.1172    0.0000 C   0  0  0  0  0  0           0  0  0 
    1.4034   -0.5276    0.0000 N   0  0  0  0  0  0           0  0  0 
    2.1207   -0.1172    0.0000 C   0  0  0  0  0  0           0  0  0 
    2.1207    0.7103    0.0000 N   0  0  0  0  0  0           0  0  0 
    2.8345   -0.5276    0.0000 N   0  0  0  0  0  0           0  0  0 
    2.8345    1.1207    0.0000 C   0  0  0  0  0  0           0  0  0 
    3.5483   -0.1172    0.0000 C   0  0  0  0  0  0           0  0  0 
    3.6414    0.8034    0.0000 N   0  0  0  0  0  0           0  0  0 
  1  2  2  0     0  0 
  1  3  1  0     0  0 
  1  4  1  0     0  0 
  2  5  1  0     0  0 
  2  6  1  0     0  0 
  3  7  2  0     0  0 
  4  8  1  0     0  0 
  8  9  1  0     0  0 
  9 10  1  0     0  0 
 10 11  1  0     0  0 
 11 12  1  0     0  0 
 12 13  2  0     0  0 
 12 14  1  0     0  0 
 13 15  1  0     0  0 
 14 16  1  0     0  0 
 15 17  3  0     0  0 
  5  7  1  0     0  0 
S  SKP  5 
ID	KOX00181 
FORMULA	C10H16N6S 
EXACTMASS	252.115715232 
AVERAGEMASS	252.34047999999999 
SMILES	N#CN=C(NC)NCCSCc(n1)c(C)nc1 
M  END