Molecule FYI-1003024

Home > Molecule

A

Molecule Summary:

ID: FYI-1003024
Names:
InChIKey: QDZXCKHKINPNMQ-UHFFFAOYSA-N
SMILES: CN/C(=N\\C#N)NCCNc2nc(N)c1ccccc1n2

Received at FYIcenter.com on: 2023-05-07

Molecule ID: FYI-1003024 Edit

Molecule Structure InChIKey: QDZXCKHKINPNMQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CN/C(=N\C#N)NCCNc2nc(N)c1ccccc1n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003024
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   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    1.4000    0.0000 N   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
    3.6373    3.5000    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
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  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  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20  4  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003024-3D
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
    4.2201    5.9993   -2.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420    4.7045   -2.5818 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5071    3.9834   -1.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.2725   -0.4104 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5663    5.4502    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3201    6.4731    0.6252 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8163    2.7478   -2.1295 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6778    1.8089   -1.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9386    0.5284   -2.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7173    0.7699   -3.4111 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0988    0.7355   -3.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6937   -0.0385   -2.3893 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0331   -0.0743   -2.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6110   -0.8835   -1.4075 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8166    0.6628   -3.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2341    0.6542   -3.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9181    1.4304   -4.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1983    2.2225   -5.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7992    2.2283   -5.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0925    1.4552   -4.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7537    1.4930   -4.1870 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6916    6.2678   -3.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    6.7742   -2.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802    5.9963   -1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096    4.1910   -3.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7536    2.6038   -3.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1769    1.5394   -0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6290    2.2961   -1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9777    0.0989   -2.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4075   -0.2233   -1.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    1.6090   -3.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8499   -1.3529   -0.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2669   -1.5458   -1.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8026    0.0459   -2.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0055    1.4170   -4.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7164    2.8414   -5.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2466    2.8552   -5.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  3  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1592👍, 0💬