Molecule Editor

Molecule ID: FYI-1001532 Edit

Molecule Structure SMILES String: CN1C(=O)N(C)c2ncn(C)c2C1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001532
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.7262    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2934    1.3316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2303    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5997    2.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    3.7035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    4.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915    2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873    0.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13 12  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001532-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.2179   -2.1851    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032   -1.0600    0.0102 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8445    0.2411    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644    0.4300    0.0031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.3056    0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181    2.6770    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087    1.0451   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.9720   -0.0091 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160    1.2595   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525   -0.0848    0.0066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2306   -1.1430    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8950   -0.2270    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0604   -1.3762    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4999   -2.5229    0.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2672   -1.8812    0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331   -2.8024   -0.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0202   -2.7919    0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095    2.7291    0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0236    3.1887    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668    3.1819   -0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213    1.6619   -0.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2348   -0.7117    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996   -1.7139    0.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0807   -1.7797   -0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
$$$$