Molecule FYI-1013291

A

Molecule Summary:

ID: FYI-1013291
Names:
InChIKey: ZIQYGNHDDVSTNL-UHFFFAOYSA-O
SMILES: [CH3:14][O:13][c:9]2[cH:10][c:6]1[cH:1][cH:2][n:3][c:4]([NH2:11])[c:5]1[cH:7][n+:8]2[CH3:12]

Received at FYIcenter.com on: 2024-12-04

Molecule ID: FYI-1013291 Edit

Molecule Structure InChIKey: ZIQYGNHDDVSTNL-UHFFFAOYSA-O

Molecule Structure SMILES String: [CH3:14][O:13][c:9]2[cH:10][c:6]1[cH:1][cH:2][n:3][c:4]([NH2:11])[c:5]1[cH:7][n+:8]2[CH3:12]

Download SDF Download SVG Structure in 2D SDF:

FYI-1013291
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  1  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  2  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  3  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  4  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  5  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  6  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  7  0  0
    4.8497    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  8  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  9  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0 10  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0 11  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0 12  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0 13  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0 14  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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  4 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013291-3D
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.3226   -0.5656   -1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632   -0.2629   -0.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0944    0.3477    0.9806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745    1.2214    0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    1.7508    1.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9621    2.5952    1.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941    3.0586    2.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2139    2.7281    4.1219 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573    1.9131    4.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393    1.5700    5.5796 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4319    1.4117    3.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2935    0.6157    3.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    0.1048    2.2423 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4484   -0.7180    2.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8489   -1.3486   -1.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974   -0.9464   -0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4492    0.3180   -1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999    1.4927   -0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3305    2.8942    0.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4535    3.7226    2.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    2.0963    6.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833    0.5810    5.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837    0.3800    4.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3816   -1.0088    3.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193   -1.6207    1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5802   -0.1140    2.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  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
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

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