Molecule FYI-1004459

A

Molecule Summary:

ID: FYI-1004459
Names:
InChIKey: BSOAGODEMKWJIG-UHFFFAOYSA-N
SMILES: O=C2Nc1ccccc1C2(c3c[nH]c4ccccc34)c5c[nH]c6ccccc56

Received at FYIcenter.com on: 2023-09-06

Molecule ID: FYI-1004459 Edit

Molecule Structure InChIKey: BSOAGODEMKWJIG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2Nc1ccccc1C2(c3c[nH]c4ccccc34)c5c[nH]c6ccccc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1004459
FYIcenter.com

 28 33  0  0  0  0  0  0  0  0999 V2000
    4.9145    9.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2956    9.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2405    8.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8041    7.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4229    7.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    8.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2753    5.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5694    5.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5102    6.0882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0524    4.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625    5.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9049    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929    2.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6776    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3914    2.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  9  8  1  0  0  0  0
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 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
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 16 15  2  0  0  0  0
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 18 10  1  0  0  0  0
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 20 10  1  0  0  0  0
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 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 28 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004459-3D
FYIcenter.com

 45 50  0     0  0  0  0  0  0999 V2000
   -0.0864   -1.6330   -2.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1859   -1.9229   -1.5961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6832    2.9159   -1.8686 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.1681    1.9721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6439   -0.5147   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4962   -1.1352    0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0773    1.9889    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -1.2029   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3859   -1.7415    1.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151   -0.0759    1.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7087    1.9923    1.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.7683   -1.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132   -0.3675    1.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 33  1  0  0  0  0
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  6 15  2  0  0  0  0
  7 11  1  0  0  0  0
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 17 24  2  0  0  0  0
 18 22  1  0  0  0  0
 18 35  1  0  0  0  0
 19 25  1  0  0  0  0
 19 36  1  0  0  0  0
 20 26  1  0  0  0  0
 20 37  1  0  0  0  0
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 28 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1696👍, 0💬