Molecule FYI-1014040

A

Molecule Summary:

ID: FYI-1014040
Names:
InChIKey: BJPJARRFIYPVOJ-ZDUSSCGKSA-N
SMILES: C4=NC(Nc2nc1ccccc1o2)=N[C@H](c3ccccc3)C4

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

Molecule ID: FYI-1014040 Edit

Molecule Structure InChIKey: BJPJARRFIYPVOJ-ZDUSSCGKSA-N

Molecule Structure SMILES String: C4=NC(Nc2nc1ccccc1o2)=N[C@H](c3ccccc3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014040
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    9.1655    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    6.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6165    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    4.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    4.9076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    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
    9.1655    4.9000    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  1  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14  3  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 22  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014040-3D
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
   -1.3019    0.5682    0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3352    1.4113    0.1469 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9548    0.9878    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766    1.8877    0.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254    3.1341   -0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031    3.8140   -0.9652 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961    4.9789   -1.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    6.0816   -2.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9041    7.1485   -2.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    7.1204   -1.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0735    6.0183   -1.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721    4.9803   -0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279    3.7968   -0.3591 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826   -0.2591    0.0761 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3010   -1.3316    0.0108 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5384   -2.1987   -1.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214   -3.5661   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -4.3564   -2.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233   -3.7938   -3.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194   -2.4428   -3.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4796   -1.6487   -2.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -0.9030    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3316    0.9597    0.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8754    1.4313    0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8086    6.1023   -2.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2597    8.0124   -2.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726    7.9697   -2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9474    5.9696   -0.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974   -1.9587    0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8571   -4.0243   -0.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091   -5.4104   -2.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213   -4.4083   -4.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6754   -2.0036   -4.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519   -0.5934   -2.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6051   -1.2830    1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7662   -1.2892   -0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 29  1  1  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

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2025-03-12, 3272👍, 0💬