Molecule FYI-1016474

A

Molecule Summary:

ID: FYI-1016474
Names:
InChIKey: XDKDTWOFQHUFPZ-UHFFFAOYSA-N
SMILES: OCC(c1cccnc1)C(c3ccc(OCCN2CCOCC2)cc3)c4cccnc4

Received at FYIcenter.com on: 2026-01-10

Molecule ID: FYI-1016474 Edit

Molecule Structure InChIKey: XDKDTWOFQHUFPZ-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC(c1cccnc1)C(c3ccc(OCCN2CCOCC2)cc3)c4cccnc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016474
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    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
    6.0622    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   14.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    2.4249    2.1000    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
  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
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  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
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 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016474-3D
FYIcenter.com

 60 63  0  0  1  0  0  0  0  0999 V2000
    1.4861   -1.3501   -1.3323 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3628   -0.5797   -0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360   -1.3731   -0.1049 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5729   -1.6043   -1.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9213   -1.2304   -1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7161   -1.5580   -2.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1414   -2.2506   -3.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494   -2.6230   -3.5088 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1058   -2.3003   -2.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3398   -0.8592    1.2226 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9775    0.5395    1.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4805    1.6294    0.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499    2.9224    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9063    3.1679    1.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797    4.4157    2.1546 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2864    5.4395    1.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092    6.2187    3.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0106    7.2037    3.2275 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    8.2924    2.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3461    9.2752    2.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0348    9.8534    3.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    8.8374    4.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7656    7.8261    4.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5205    2.0875    2.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8457   -1.4620    4.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -0.2788    4.0304 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2026-02-02, 781👍, 0💬