Molecule FYI-1008116

A

Molecule Summary:

ID: FYI-1008116
Names:
InChIKey: PLYSCVSCYOQVRP-UHFFFAOYSA-N
SMILES: Cc3ncc4CN=C(c1ccccc1F)c2cc(Cl)ccc2n34.Cl

Received at FYIcenter.com on: 2024-04-17

Molecule ID: FYI-1008116 Edit

Molecule Structure InChIKey: PLYSCVSCYOQVRP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ncc4CN=C(c1ccccc1F)c2cc(Cl)ccc2n34.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1008116
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.3281    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8195    0.1306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7563    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0563    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6869    2.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056    2.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    4.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    5.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    4.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    3.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    2.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1356    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7340    5.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8203    8.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608    9.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1922    8.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4833    7.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8148    7.1113    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3348    4.4592    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008116-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.3172    0.5040    0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047    0.3202    0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    1.3816   -0.0661 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    0.8692   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7799   -0.4946   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9305   -1.4347   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7918   -2.3636   -1.1243 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261   -3.2100   -1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9212   -4.1437   -2.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1848   -4.5280   -2.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2908   -5.4073   -4.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1418   -5.8960   -4.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8837   -5.5080   -4.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661   -4.6440   -3.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5220   -4.2727   -2.7097 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6915   -3.3342   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316   -4.6431   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2033   -4.8869    0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6903   -6.5359    1.1822 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5991   -3.8231    1.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -2.5128    1.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0917   -4.1684   -2.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -5.7113   -4.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2255   -6.5717   -5.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6919   -5.4969   -0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049   -4.0152    2.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5373   -1.7325    1.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0425   -2.0873   -0.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  6  7  1  0  0  0  0
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  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
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 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
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 12 33  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
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 22 23  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

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2024-07-15, 717👍, 0💬