Molecule FYI-1006734

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A

Molecule Summary:

ID: FYI-1006734
Names:
InChIKey: WSYCFYURDIXHNT-UHFFFAOYSA-N
SMILES: O=C(O)c2cc(c1ccccn1)nc3ccccc23

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006734 Edit

Molecule Structure InChIKey: WSYCFYURDIXHNT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2cc(c1ccccn1)nc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006734
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19  4  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006734-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
    2.2028    2.8789    1.0462 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    2.8954   -1.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310   -1.2823    0.0649 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8699    0.9785    0.5244 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8995   -0.1587   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1146   -1.3282    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    1.0746   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8295   -0.0720   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1473    1.1250   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021   -0.2435   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2727   -0.1074   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7711   -2.5530    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9324   -1.4817    0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1656   -2.6377    0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9531    2.3451   -0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9599   -1.1913   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3496   -1.1583   -0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2216    0.9748    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0002   -0.0583    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6597    2.0795   -0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279    0.6435   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -3.4733    0.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162   -1.5437    0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -3.6080    0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4595   -2.0490   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9249   -1.9871   -0.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6805    1.8553    0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0825   -0.0108    0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    3.7321    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 29  1  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4 11  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  2  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 16  2  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
$$$$

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2024-01-24, 885👍, 0💬