Molecule FYI-1006174

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A

Molecule Summary:

ID: FYI-1006174
Names:
InChIKey: GMBPWPWXZLZYPR-GIDUJCDVSA-N
SMILES: O=C(O)C(Cc1c[nH]cn1)/N=C/c2ccccc2O

Received at FYIcenter.com on: 2023-11-29

Molecule ID: FYI-1006174 Edit

Molecule Structure InChIKey: GMBPWPWXZLZYPR-GIDUJCDVSA-N

Molecule Structure SMILES String: O=C(O)C(Cc1c[nH]cn1)/N=C/c2ccccc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006174
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    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
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7035    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341    6.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5709    4.3306    0.0000 N   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  1  0  0  0  0
  6  5  2  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 12  1  0  0  0  0
 14  4  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  1  0  0  0  0
 19 18  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006174-3D
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
    0.9572    0.0834   -0.1983 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750    0.0629   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0148   -0.3980   -1.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418    0.5710    1.1580 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4905   -0.1521    2.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210   -1.6231    2.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8763   -2.6206    1.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164   -3.7671    2.0157 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423   -3.4401    2.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9259   -2.1583    2.7867 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3839    0.3598    0.8416 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2019    1.1537    1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6517    1.0742    1.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1402    0.1086    0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5027    0.0467    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3787    0.9473    0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8972    1.9086    1.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5329    1.9706    1.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0595    2.9103    2.6636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9221   -0.3076   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359    1.6463    1.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4217    0.0334    2.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0182    0.2653    3.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657   -2.6021    1.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3251   -4.6857    1.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6311   -4.1672    2.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8515    1.9270    2.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4656   -0.6014   -0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8787   -0.7071   -0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4418    0.8946    0.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6009    2.5942    1.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8021    3.4536    2.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

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2023-12-08, 282👍, 0💬