Molecule FYI-1008812

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A

Molecule Summary:

ID: FYI-1008812
Names:
InChIKey: FQPUUVGCBUYVIG-UHFFFAOYSA-N
SMILES: CCCNCCc1nnc[nH]1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008812 Edit

Molecule Structure InChIKey: FQPUUVGCBUYVIG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCNCCc1nnc[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008812
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    9.4905    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 N   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  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  2  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
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008812-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
    1.8828   -0.3556    0.4752 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893   -0.9561   -0.4134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115    1.0325    0.4750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8444   -0.3636   -0.7524 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5791    0.0665   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541    0.2225   -0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5457   -0.5313    0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3141   -0.2197    0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9027   -0.1198    0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4506    0.3878   -0.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6873    0.8369   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.1612    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4513   -0.2438   -1.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558   -0.0899   -1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956    1.3173   -0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -0.1959    1.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741   -1.6264    0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469   -1.3730    0.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4219    0.0804    1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3959   -1.3129    0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936    0.0816   -1.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4211    1.4813   -0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4159    0.0589   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5155   -1.9090   -0.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4538    1.5933   -0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3  9  2  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  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
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1620👍, 0💬