Molecule FYI-1008782

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A

Molecule Summary:

ID: FYI-1008782
Names:
InChIKey: GSFXHRLTEGWUDC-UHFFFAOYSA-N
SMILES: CC(C)c1n[nH]c(CCN)n1

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

Molecule ID: FYI-1008782 Edit

Molecule Structure InChIKey: GSFXHRLTEGWUDC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c1n[nH]c(CCN)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008782
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    7.8148    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0684    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    2.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    2.3467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    0.3850    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  2  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  9  1  0  0  0  0
 11  7  2  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008782-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
   -0.1773   -0.3973   -0.3976 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003    1.5988    0.2785 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9192    1.5628    0.5190 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3891   -0.8707    0.0419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6348   -0.2131    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.3346    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.2028   -0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8334    0.4301   -0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729   -0.5301   -1.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7265   -1.4398    1.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870   -0.6782    0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2798    0.5645    0.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7652    1.1621   -0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2799   -0.2775   -1.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5843   -1.3161   -1.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366    0.3569   -1.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2134   -0.8679   -1.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1174   -2.2672    0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7613   -1.7890    1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.2035    2.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4968   -1.6562    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347   -0.2159    1.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9228    2.4359    0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8222   -1.5072    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4523   -1.3240   -0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  0  0  0  0
  3  6  2  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$

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2024-04-29, 641👍, 0💬