Molecule Editor

Molecule ID: FYI-1016173 Edit

Molecule Structure InChIKey: NNFFFVFLFDDXRM-UHFFFAOYSA-N

Molecule Structure SMILES String: NC2=NC1CCCCC1C(=O)N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016173
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   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  3  1  0  0  0  0
  5  4  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
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016173-3D
FYIcenter.com

 25 26  0     1  0  0  0  0  0999 V2000
    1.5591    2.4585    0.3226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3321   -1.4497    0.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9333    0.2247   -0.1244 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562   -1.9780   -0.7623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209    0.9551    0.3791 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4528   -0.4369    1.0006 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0309    1.0687   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9140   -0.8986    1.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4866    0.6233   -0.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6074   -0.7842   -0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1427    1.3071    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4891   -1.0901   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.6845    1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0771   -0.4119    2.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    0.4682   -1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878    2.1060   -1.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4595   -0.2846    1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9745   -1.9358    1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9437    0.6565   -1.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0454    1.3249   -0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6658   -1.0475   -0.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1704   -1.5050   -1.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996    0.4105   -0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1198   -2.9602   -0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2573   -1.6808   -1.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  6  1  0  0  0  0
  2 12  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$