Molecule FYI-1006177

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A

Molecule Summary:

ID: FYI-1006177
Names:
InChIKey: ODQRBTNBEHLQEG-UHFFFAOYSA-N
SMILES: NC1=NCNC=C1c2ccccc2

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

Molecule ID: FYI-1006177 Edit

Molecule Structure InChIKey: ODQRBTNBEHLQEG-UHFFFAOYSA-N

Molecule Structure SMILES String: NC1=NCNC=C1c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006177
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006177-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.9940    0.0202   -0.1123 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.0224   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427    1.1379   -0.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4018    1.1726   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0862   -0.0883    0.1310 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4118   -1.2741    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0775   -1.3459   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564   -2.6217   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9674   -3.1946    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999   -4.3599    1.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -4.9629    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2252   -4.4097   -1.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -3.2424   -1.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313    0.9302    0.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5018   -0.7593    0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7091    1.8299    0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483    1.6477   -0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750   -0.0997   -0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0434   -2.1574    0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470   -2.7248    2.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8890   -4.7920    2.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149   -5.8637    0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9316   -4.8814   -2.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2848   -2.8094   -2.1679 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
  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
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
$$$$

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2023-12-08, 1048👍, 0💬