Molecule Editor

Molecule ID: FYI-1015040 Edit

Molecule Structure InChIKey: QPLFTMFSBLOJHP-LURJTMIESA-N

Molecule Structure SMILES String: CC(/N=[C+](\C)=O)[C@@+](O)On2nnc1cccnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1015040
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
   10.0929    4.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1549    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6597    3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2885    2.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3506    3.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7837    5.2200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5876    1.6311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2165    1.9226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0699    3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    4.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    3.3167    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    3.6420    1.9149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    4.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.9149    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    5.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4640    4.7612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5881    6.8447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5977    2.0948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    0.5131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350    2.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7271    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    6.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262    5.4194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8298    5.4194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3967    2.6255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    1.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 29  1  0  0  0  0
 13 28  1  6  0  0  0
 13 14  1  0  0  0  0
 13 11  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 15  2  0  0  0  0
 17 24  1  0  0  0  0
 18 13  1  0  0  0  0
 18 26  1  0  0  0  0
 19  1  1  0  0  0  0
 20  2  1  0  0  0  0
 22 17  1  0  0  0  0
 23 17  1  0  0  0  0
 25 18  1  0  0  0  0
 27 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015040-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  1  0  0  0
  2  7  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  1  0  0  0
  4  6  2  6  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$