Molecule FYI-1007646

A

Molecule Summary:

ID: FYI-1007646
Names:
InChIKey: YRARZMKWAXFKAG-UHFFFAOYSA-N
SMILES: Cn3c(=O)c2c(nc(N1CCCC1)n2CC(O)CO)n(C)c3=O

Received at FYIcenter.com on: 2024-03-08

Molecule ID: FYI-1007646 Edit

Molecule Structure InChIKey: YRARZMKWAXFKAG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)c2c(nc(N1CCCC1)n2CC(O)CO)n(C)c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007646
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.3427    0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795    1.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776    3.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    5.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2074    7.3256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4863    7.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3400    9.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9705    9.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2705    8.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5857    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9550    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6490    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0816    0.0000    0.0000 O   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
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  5  3  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 20  6  1  0  0  0  0
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 22 20  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007646-3D
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
   -0.5856   -2.5882    0.9859 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5453   -2.2759   -0.8953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0157   -3.9464    0.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8235    0.8299    0.3764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1653    1.4981   -0.0962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -0.0716   -0.4097 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826    1.9635    0.2732 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6015    1.5202    0.3728 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046   -0.7383   -0.2609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8581    2.0367   -1.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0790    1.3304    1.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3368    1.9138   -0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3366    2.0820    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    1.1897   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406   -0.0967   -0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2628   -1.1684   -0.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824    1.1601    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7334   -2.0245    0.3484 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8709   -1.1534   -0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6318    0.5661    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6290   -3.1638   -0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9163    2.8721    0.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507   -1.7354   -0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 19  2  0  0  0  0
  3 21  1  0  0  0  0
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  4 20  2  0  0  0  0
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 18 21  1  0  0  0  0
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 21 35  1  0  0  0  0
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 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
$$$$

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2024-03-17, 1684👍, 0💬