Molecule FYI-1009106

A

Molecule Summary:

ID: FYI-1009106
Names:
InChIKey: MRGFWGHUBKBGSQ-UHFFFAOYSA-N
SMILES: CCn4c1ccc(CNC)cc1c3cc(c2cccs2)ccc34

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009106 Edit

Molecule Structure InChIKey: MRGFWGHUBKBGSQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn4c1ccc(CNC)cc1c3cc(c2cccs2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1009106
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.9492    3.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3818    5.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492    6.0135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1165    5.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5492    3.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8859    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2554    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6880    4.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512    5.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    5.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    4.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492    7.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4616    8.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.3605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9011    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1135    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5845    2.2157    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  2  0  0  0  0
  1  6  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  5 13  1  0  0  0  0
  4 10  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009106-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    3.5158   -0.3969   -0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   -0.0101    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    1.1144    0.8973 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    1.0086    2.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1929   -0.1068    2.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    0.1008    3.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0148    1.3789    4.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7268    1.5701    5.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1115    1.0981    5.7571 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7915    1.3163    7.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4619    2.4805    3.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    2.2992    2.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1162    3.1924    1.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934    4.5888    1.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2184    5.2061    0.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9596    6.6578    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8841    7.3340    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9878    8.7493    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364    9.1190    0.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831    7.7699    1.2672 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    4.4069   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9731    3.0218   -0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6345    2.4344    0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1259   -1.2115   -1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7490    0.4477   -1.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867   -0.8526    0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454    0.2610   -0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002   -1.1091    2.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2957   -0.7569    4.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1671    1.0230    6.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7078    2.6318    6.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5963    1.6072    5.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2905    0.7842    7.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8473    2.3814    7.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8142    0.9325    6.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587    3.4827    4.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456    5.1707    2.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0513    6.8361   -0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2566    9.4571   -0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706   10.1186    1.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    4.8581   -1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212    2.4331   -1.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  2  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1075👍, 0💬