Molecule Editor

Molecule ID: FYI-1015644 Edit

Molecule Structure InChIKey: LAUMKMWKFSLGDY-UHFFFAOYSA-N

Molecule Structure SMILES String: NC1NC=CN=C1C(=O)NCc2ccc(Cl)c(Cl)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015644
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.6994    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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    2.8000    0.0000 C   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015644-3D
FYIcenter.com

 31 32  0  0  1  0  0  0  0  0999 V2000
    4.9474   -1.9453   -1.7687 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765   -1.2529   -1.9712 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7934    0.0770   -2.5589 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5820    1.1770   -1.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0263    1.0967   -0.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6139   -0.0782    0.0471 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9053   -1.1707   -0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309   -2.5068   -0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144   -3.5384   -0.6915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -2.4239    1.1626 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2356   -3.5701    1.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2081   -4.1854    2.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1129   -5.1628    2.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0434   -5.7176    3.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0855   -5.2998    4.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766   -6.0134    5.6098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1839   -4.3300    5.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1722   -3.7700    6.6681 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2504   -3.7753    4.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3678   -2.0880   -2.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7358   -2.8851   -1.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634   -1.8503   -2.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5977    0.1744   -3.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9077    2.1230   -2.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772    2.0017    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -1.5044    1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289   -4.3172    1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273   -3.2441    2.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003   -5.4921    1.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7383   -6.4710    2.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554   -3.0189    4.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$