Molecule FYI-1003165

A

Molecule Summary:

ID: FYI-1003165
Names:
InChIKey: NPOMGZLYSBZNSL-UHFFFAOYSA-N
SMILES: C[Cl+]c1ccc4c(c1)C(c2ccccc2)=NCc3nnc(C)n34

Received at FYIcenter.com on: 2023-05-17

Molecule ID: FYI-1003165 Edit

Molecule Structure InChIKey: NPOMGZLYSBZNSL-UHFFFAOYSA-N

Molecule Structure SMILES String: C[Cl+]c1ccc4c(c1)C(c2ccccc2)=NCc3nnc(C)n34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003165
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.0056    0.7181    0.0000 Cl  0  3  0  0  0  0  0  0  0  0  0  0
    3.7127    6.3121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8604    6.1235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9501    8.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774    8.2785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426    4.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683    4.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517    7.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4669    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0526    7.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    6.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7379    4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1893    2.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5098    3.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589    2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9846    2.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153    6.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2180    2.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8444    4.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2609    1.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8873    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5955    1.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    7.9908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0316    8.6742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    4.8128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    2.4733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    2.0849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9865    5.1223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5137    7.3965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8024    1.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1362    5.6438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9691    0.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2220    3.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6384    1.0203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8038    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
  1 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003165-3D
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.8761    0.0027   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508    0.0663    0.0152 Cl  0  3  0  0  0  0  0  0  0  0  0  0
    4.4029    0.0805    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0980    1.2419    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4925    1.2318    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2292    0.0553    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -1.1312   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0993   -1.0862   -0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1457   -2.4451   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4851   -3.2561   -1.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7923   -2.5972   -2.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1311   -3.3160   -3.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1430   -4.7089   -3.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8413   -5.3812   -2.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5235   -4.6610   -1.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2207   -2.9088   -0.0115 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9648   -2.2543    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4673   -0.9405    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7708   -0.6141    0.4616 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8264    0.6240   -0.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5590    1.0445   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2403    2.3816   -0.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6752    0.0760    0.1645 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5320   -0.6242   -0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4753    1.0306   -0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163   -0.4370    0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5567    2.1537    0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9767    2.1498    0.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5233   -1.9740   -0.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7689   -1.5150   -2.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6039   -2.7874   -4.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -5.2633   -4.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8444   -6.4624   -2.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0461   -5.1997   -0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8229   -2.8979    1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3217   -2.1077    1.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1808    2.9000   -1.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7117    3.0459   -0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6364    2.2317   -1.7064 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
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  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
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1874👍, 0💬