Molecule FYI-1006474

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A

Molecule Summary:

ID: FYI-1006474
Names:
InChIKey: YDYZEWIAEWRIEB-UHFFFAOYSA-N
SMILES: Nc2cnc(c1ccccc1)nn2

Received at FYIcenter.com on: 2023-12-26

Molecule ID: FYI-1006474 Edit

Molecule Structure InChIKey: YDYZEWIAEWRIEB-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cnc(c1ccccc1)nn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006474
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   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
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006474-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    1.0053    1.1745   -0.3202 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232   -1.1377    0.3104 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724   -1.1484    0.3138 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4397    0.0060   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421    0.0061   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4047    0.0173   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7477    1.1689    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7312   -1.1673   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1426    1.1585    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260   -1.1778   -0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8317   -0.0149    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -0.0159    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3461    1.1306   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2394    2.0965    0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2098   -2.0869   -0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6925    2.0632    0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6631   -2.0907   -0.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9177   -0.0232    0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8457    2.0589   -0.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9119    0.6717   -0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9183   -0.8560    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 19  1  0  0  0  0
M  END
$$$$

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2023-12-31, 359👍, 0💬