Molecule Editor

Molecule ID: FYI-1016196 Edit

Molecule Structure InChIKey: DFMOTSVEJYVQCY-UHFFFAOYSA-N

Molecule Structure SMILES String: N=C(N)NCCCONC(=N)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1016196
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016196-3D
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
   -1.7340   -0.4853   -0.0951 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    0.1392   -0.3210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626    0.5367    0.3896 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276   -0.3277    0.6319 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2714    1.5811   -0.5618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8037    1.1907    0.3776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2577   -0.7348   -0.7262 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5117   -1.3128   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624   -1.1184    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4047   -0.2112    0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160    0.4185   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7989    0.3238    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -2.2838    0.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4378   -1.3545   -1.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0262   -1.1140    1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5468   -1.9651   -0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713   -0.1768    1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0998    0.7650   -0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3851   -1.2146    1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5821   -0.0076    0.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230    2.2367   -1.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2416    1.8178   -0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7649    1.0310    0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6113    2.0178    0.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2382   -0.8267   -0.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6252   -1.4547   -1.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$