Molecule FYI-1015444

A

Molecule Summary:

ID: FYI-1015444
Names:
InChIKey: UBMHSUGCDIWNQV-UHFFFAOYSA-N
SMILES: CCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015444 Edit

Molecule Structure InChIKey: UBMHSUGCDIWNQV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015444
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   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
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    2.4248    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   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  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 12  7  1  0  0  0  0
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 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015444-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    2.8304    1.2300    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3499    1.2350    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9188    0.1884    1.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4473    0.1361    1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0086   -0.8824    2.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5215   -2.2380    1.8423 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -3.2071    2.7798 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5910   -3.0554    4.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316   -3.2760    4.3993 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6992   -4.2315    3.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -4.6089    3.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -5.6703    3.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830   -3.7105    4.2573 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -3.8319    4.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3067   -5.0187    3.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0868   -5.0895    4.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8272   -3.9738    4.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5438   -4.0695    4.4108 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865   -2.7782    4.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2085   -2.7213    4.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543   -1.5584    5.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6311   -5.0066    2.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8082   -2.5298    0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1245   -3.7695    4.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869   -2.8426    4.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8422   -5.9229    3.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5754   -6.0244    3.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
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 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$

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2025-11-06, 438👍, 0💬