Molecule FYI-1009007

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A

Molecule Summary:

ID: FYI-1009007
Names:
InChIKey: VKFWUJMFXDWKJK-UHFFFAOYSA-N
SMILES: CCNc2cc(Nc1cccc(Cl)c1)ncn2

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1009007 Edit

Molecule Structure InChIKey: VKFWUJMFXDWKJK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNc2cc(Nc1cccc(Cl)c1)ncn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009007
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2747    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    0.0000    0.0000    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  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 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009007-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
    4.4421   -1.9903   -1.0259 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4620    0.8530    0.5244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1559   -0.0760   -0.2389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3166   -1.3888    0.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6488   -1.8591    0.2272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878   -0.0804    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8485   -0.5363    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8448    0.7672    0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4606    1.3036   -0.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8465    0.4085    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955   -0.4301   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6616    1.8813    0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9345    1.4726   -0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7627   -0.5134   -0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0288    1.7980    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5795    0.6007   -0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3777   -2.2107    0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2329    1.8890    0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8864    1.7138   -1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964    1.4716    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    1.7685    0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8801   -0.7826   -0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7933   -1.3104   -0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.8208    0.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2095    0.9230   -1.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5577    1.0984    0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1739    2.5292   -0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6648    2.6654    0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6465    0.5506   -0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883   -3.2671    0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  2  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 1537👍, 0💬