Molecule FYI-1008514

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A

Molecule Summary:

ID: FYI-1008514
Names:
InChIKey: NXUZDQKHGHVXKN-UHFFFAOYSA-N
SMILES: CCNc1nc(NCC)nc(OCC)n1

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

Molecule ID: FYI-1008514 Edit

Molecule Structure InChIKey: NXUZDQKHGHVXKN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNc1nc(NCC)nc(OCC)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008514
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    4.8498    4.2000    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  2  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  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  2  0  0  0  0
 15  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008514-3D
FYIcenter.com

 32 32  0     0  0  0  0  0  0999 V2000
   -1.6245    2.1713   -0.0054 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333    0.8208    0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6010   -2.3728    0.0067 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1377   -0.7992    0.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560   -0.0945    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012    1.5397   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8827   -0.1688    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9767   -2.7610    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819    0.5108    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1863   -1.0232    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6881    1.1642   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394    0.5086   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0925   -4.2731   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    1.7714   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8636    3.0058    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079   -0.7956    0.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7926   -0.8189   -0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4884   -2.3551   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834   -2.3756    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0744    1.8055    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1336   -3.0712    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3539    1.1306   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3714    1.1538    0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0396   -0.2380   -0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6145   -4.6937   -0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106   -4.7160    0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1442   -4.5759   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2091    1.1844   -0.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    1.1719    0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9229    2.7338    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6568    3.6181    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6591    3.6316   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  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 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1491👍, 0💬