Molecule FYI-1008645

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A

Molecule Summary:

ID: FYI-1008645
Names:
InChIKey: YLGNRMLGBACAJX-UHFFFAOYSA-N
SMILES: C=C(C)CCNc1nc(C)cc(CC)n1

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

Molecule ID: FYI-1008645 Edit

Molecule Structure InChIKey: YLGNRMLGBACAJX-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)CCNc1nc(C)cc(CC)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008645
FYIcenter.com

 15 15  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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   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
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 N   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    1.4000    0.0000 N   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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  2  0  0  0  0
 15  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008645-3D
FYIcenter.com

 34 34  0     0  0  0  0  0  0999 V2000
   -1.0703   -0.3130   -0.4689 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9847    0.7703   -0.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8116   -1.6014   -0.0223 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7773    0.9106   -0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2660    0.6366   -0.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3179    0.6646   -0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3024   -0.3847   -0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1118    1.9224   -0.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9678    0.0712    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621   -0.5226    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1502   -1.6342    0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552    2.6447    0.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0251    0.9395    1.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7558   -2.9638    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5451   -1.1402    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760    1.3563   -1.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324    1.6390    0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7632    1.5729   -1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3841   -0.0407   -1.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -1.1844   -0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    2.5928   -1.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1049    1.7088   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0346   -0.5804    0.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7747    2.0193    1.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2755    2.9062    1.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8290    3.5678    0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0256    1.0816    1.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4430    1.9204    1.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6543    0.5032    2.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2682   -2.9385    1.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4740   -3.2405   -0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9892   -3.7444    0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5146   -1.7628   -0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0591   -1.5390    1.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
$$$$

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2024-06-03, 185👍, 0💬