Molecule FYI-1003674

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A

Molecule Summary:

ID: FYI-1003674
Names:
InChIKey: JBMLQVDMCFEXNZ-WEVVVXLNSA-N
SMILES: C/C=N/C(C)NCNCC

Received at FYIcenter.com on: 2023-07-17

Molecule ID: FYI-1003674 Edit

Molecule Structure InChIKey: JBMLQVDMCFEXNZ-WEVVVXLNSA-N

Molecule Structure SMILES String: C/C=N/C(C)NCNCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003674
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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 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
    3.6373    0.7000    0.0000 C   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  1  0  0  0  0
  6  4  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  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003674-3D
FYIcenter.com

 27 26  0  0  1  0  0  0  0  0999 V2000
    5.4098    2.7769    0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0803    1.3594    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8225    1.0231   -0.8059 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5613   -0.4006   -1.0006 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0439   -0.5933   -1.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1039   -0.8404   -2.2780 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5467   -0.7772   -2.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9680   -1.2759   -3.5776 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206   -1.1823   -3.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8644   -1.6732   -5.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2596    2.9425    1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7726    3.4578    0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578    2.9662    0.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1287    0.6295    1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774   -1.0230   -0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5711   -0.0134   -1.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076   -0.2528   -0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771   -1.6468   -1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500   -0.2055   -2.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9625   -1.4092   -1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    0.2508   -2.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5138   -0.7256   -4.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9107   -1.7904   -2.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7524   -0.1449   -3.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5762   -2.7175   -5.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9539   -1.6081   -5.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4288   -1.0672   -5.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
$$$$

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2023-07-29, 353👍, 0💬