Molecule FYI-1016277

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A

Molecule Summary:

ID: FYI-1016277
Names:
InChIKey: RWVWXMJNPJDABT-UHFFFAOYSA-N
SMILES: CN2CCC(c1cccnc1)C2C(=O)OS(C)(C)C

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016277 Edit

Molecule Structure InChIKey: RWVWXMJNPJDABT-UHFFFAOYSA-N

Molecule Structure SMILES String: CN2CCC(c1cccnc1)C2C(=O)OS(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016277
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.4197    0.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    1.5306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2468    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2063    6.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749    6.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    4.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242    3.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 C   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016277-3D
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
   -2.1995   -0.0765    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7885    0.0043   -0.2388 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0264   -1.1713    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4242   -0.7332   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019    0.8115   -0.0174 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8744    1.3735   -1.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159    2.1791   -1.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4420    2.6790   -2.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7128    2.3555   -3.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105    1.5807   -3.7584 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    1.1077   -2.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    1.1757    0.3198 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2360    1.3060    1.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3920    0.6555    2.6743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2584    2.1625    2.1566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267    2.2420    3.5879 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9111    0.7129    3.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7764    2.4487    4.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0831    3.6511    3.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6658   -0.8859   -0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126    0.8482   -0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3787   -0.2705    1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2605   -2.0496   -0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2088   -1.4323    1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365   -1.1527   -0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0400   -1.1072    0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0799    1.1746    0.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5840    2.4180   -0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3251    3.3036   -2.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056    2.7199   -4.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341    0.4777   -2.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3679    2.1142   -0.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2009   -0.1110    3.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6266    0.6893    2.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4362    0.6686    4.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1062    1.5908    4.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2853    2.5097    5.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2327    3.3731    4.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7194    3.5110    2.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4642    4.5427    3.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6917    3.7228    4.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$

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2025-12-09, 376👍, 0💬