Molecule FYI-1009369

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A

Molecule Summary:

ID: FYI-1009369
Names:
InChIKey: ZFXQYZLYYLGTLL-UHFFFAOYSA-N
SMILES: CNC2C=CC1C=C(N)C=CC1N2

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009369 Edit

Molecule Structure InChIKey: ZFXQYZLYYLGTLL-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC2C=CC1C=C(N)C=CC1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009369
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   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  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  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 13  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009369-3D
FYIcenter.com

 28 29  0  0  1  0  0  0  0  0999 V2000
    1.8439   -0.0821   -0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2738   -0.2855   -0.2821 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8841    0.8684    0.3293 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2961    0.6110    0.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0265    1.6697    1.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3219    2.9916    1.0778 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0112    4.2470    1.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6382    5.4297    0.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188    6.6337    1.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7441    5.4703   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3637    4.3650   -0.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8278    3.0039   -0.3989 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8061    1.9639   -0.6390 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3460   -1.0436   -0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.4997   -1.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3475    0.4377    0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7364   -0.4269   -1.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020    1.1190    1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6784   -0.4026    0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    1.5816    1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    2.9610    1.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6469    4.2032    2.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    6.5593    2.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3197    7.3586    1.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    6.4407   -0.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7753    4.4488   -1.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6708    2.7621   -1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924    2.3886   -0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1415👍, 0💬