Molecule FYI-1009297

A

Molecule Summary:

ID: FYI-1009297
Names:
InChIKey: YUMBBKRCRFMMBC-UHFFFAOYSA-N
SMILES: Cc1noc(C)c1c4cccc(C3(c2ccccc2)N=C(O)N=C3O)c4

Received at FYIcenter.com on: 2024-05-07

Molecule ID: FYI-1009297 Edit

Molecule Structure InChIKey: YUMBBKRCRFMMBC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1noc(C)c1c4cccc(C3(c2ccccc2)N=C(O)N=C3O)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009297
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.6751    3.6960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4515    2.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1608    3.5642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2154    2.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9218    1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3038    1.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0596    3.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305    4.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747    1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798    1.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7091    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016    4.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073    5.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964    6.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0918    6.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9810    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6153    8.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963    9.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003    9.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983    8.5934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    7.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1615    6.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
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 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009297-3D
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
    0.3290    0.3000    2.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    0.1022    0.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -1.1459    0.4854 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -1.0235   -0.8796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0265    0.2892   -1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937    0.5573   -2.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1238    1.0664   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1221    2.5244   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    3.2773   -1.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    4.6686   -1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894    5.3296   -0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6778    4.6129    0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5129    5.3387    2.0237 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0243    5.3360    1.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7334    4.1280    1.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1263    4.1102    1.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8413    5.3017    1.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1599    6.5119    1.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7650    6.5302    1.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9845    6.7484    2.2074 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6060    6.7685    3.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    7.8557    3.9979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262    5.6793    4.2373 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510    4.8316    3.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5488    3.6057    3.8556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5435    3.2109    0.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5331    0.8256    2.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2332    0.8767    2.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6975    1.0394   -3.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2632    2.8016   -1.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601    5.2378   -1.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0131    2.6339    1.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-15, 1029👍, 0💬