Molecule FYI-1014039

A

Molecule Summary:

ID: FYI-1014039
Names:
InChIKey: MBZNVOYFHRBGSX-UHFFFAOYSA-N
SMILES: c4ccc(c3ccnc(Nc2nc1ccccc1[nH]2)n3)cc4

Received at FYIcenter.com on: 2025-02-20

Molecule ID: FYI-1014039 Edit

Molecule Structure InChIKey: MBZNVOYFHRBGSX-UHFFFAOYSA-N

Molecule Structure SMILES String: c4ccc(c3ccnc(Nc2nc1ccccc1[nH]2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014039
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.9531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    6.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    4.9077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  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
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  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
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19 11  1  0  0  0  0
 20  9  2  0  0  0  0
 20  5  1  0  0  0  0
 21  4  1  0  0  0  0
 22 21  2  0  0  0  0
 22  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014039-3D
FYIcenter.com

 35 38  0     0  0  0  0  0  0999 V2000
   -3.1471   -1.4312   -0.0031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7047    0.2597   -0.0258 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8865   -2.0098    0.0242 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1597   -0.7968    0.0217 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685   -3.2063    0.0643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9150   -0.2954   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9917    0.7464   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8348   -1.0478   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2959   -0.0961   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4558    2.0724   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084   -0.8286    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1522    0.4631    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5627   -2.0039    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7403    1.2300   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8383    2.2965   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2476   -1.9935    0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0156    0.7992   -1.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9109    1.3753    1.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170   -3.1642    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6380    2.0475   -1.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330    2.6236    1.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3967    2.9596   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4901   -2.3823    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9940   -0.9254   -0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2011   -2.9795    0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7631    2.9078   -0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8082    1.4336   -0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2139    3.3163   -0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3303   -2.0093    0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132    0.1051   -1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2434    1.1303    1.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0106   -4.1298    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3094    2.3099   -1.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458    3.3338    1.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810    3.9317   -0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 23  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  2  0  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
 10 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 20  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  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
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1214👍, 0💬