Molecule FYI-1013550

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A

Molecule Summary:

ID: FYI-1013550
Names:
InChIKey: WWHIVGWSPOTPAR-UHFFFAOYSA-N
SMILES: CC(CCCN(C)C)Nc1ccnc2ccccc12

Received at FYIcenter.com on: 2025-01-07

Molecule ID: FYI-1013550 Edit

Molecule Structure InChIKey: WWHIVGWSPOTPAR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(CCCN(C)C)Nc1ccnc2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1013550
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 10  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013550-3D
FYIcenter.com

 42 43  0  0  1  0  0  0  0  0999 V2000
    0.9245   -0.2090   -0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503   -0.0773   -0.1341 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8550    1.1112    0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354    1.0813    2.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028    2.3419    2.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569    2.5132    4.3422 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1990    1.4359    5.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1901    3.8005    4.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185   -1.3599    0.3085 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3098   -1.7892   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3211   -0.8743   -0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6190   -1.3129   -0.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -2.5936   -0.4071 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516   -3.4991   -0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4660   -4.8178   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5659   -5.8532    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139   -5.5703    0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765   -4.2459    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6814   -3.1707    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4651    0.7382   -0.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940   -0.5127    0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410   -0.9676   -0.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882    0.1327   -1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426    2.0225    0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390    1.2440    0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251    0.1742    2.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439    1.0696    2.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6105    3.2092    2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0939    2.3592    2.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    0.4799    4.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9920    1.6252    6.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    1.3256    5.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7773    4.6300    4.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2832    3.8441    4.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041    3.9813    5.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3419   -2.1138    0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1377    0.1835   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4191   -0.6134   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5256   -5.0447   -0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9256   -6.8766    0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4977   -6.3740    0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -4.0709    0.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
M  END
$$$$

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