Molecule FYI-1004570

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A

Molecule Summary:

ID: FYI-1004570
Names:
InChIKey: YTOYRGPBFDWVDA-UHFFFAOYSA-N
SMILES: Cc2cc(/C(N)=N/OC(=O)Nc1ccccc1)no2

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004570 Edit

Molecule Structure InChIKey: YTOYRGPBFDWVDA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(/C(N)=N/OC(=O)Nc1ccccc1)no2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004570
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.0655    1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    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  3  1  0  0  0  0
  5  4  2  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
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004570-3D
FYIcenter.com

 31 32  0     0  0  0  0  0  0999 V2000
    5.6115   -0.2128    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0644   -0.9134    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703    1.1941   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3089   -0.7299    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5648   -1.1268    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434   -0.1996   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0341   -2.3919   -0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6123   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1061    1.0473    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7373    0.9950   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6948   -1.1119    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330    1.1453   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1685   -1.0146    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0809    2.1451    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9979   -0.6144    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1363    1.6427   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2187    0.7628    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1079   -0.0237    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0534    1.8308   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -2.1875    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464    1.8870   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7186    2.0933    0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    2.0923   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5800    3.1183   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2218   -1.7434    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8408   -1.2994    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3096    2.7150   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2333    1.1501    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8421   -3.0054   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1179   -2.8269   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  2  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  4 26  1  0  0  0  0
  5  8  2  0  0  0  0
  6 14  2  3  0  0  0
  7 14  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  2  0  0  0  0
 13 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

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2023-09-23, 1666👍, 0💬