Molecule FYI-1014059

A

Molecule Summary:

ID: FYI-1014059
Names:
InChIKey: BJPJARRFIYPVOJ-CYBMUJFWSA-N
SMILES: C4=NC(Nc2nc1ccccc1o2)=N[C@@H](c3ccccc3)C4

Received at FYIcenter.com on: 2025-02-25

Molecule ID: FYI-1014059 Edit

Molecule Structure InChIKey: BJPJARRFIYPVOJ-CYBMUJFWSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014059
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
    7.9531    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 O   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
    7.9531    4.2000    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
    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
    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
    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  6  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-1014059-3D
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
   -1.2668    0.5394    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086    1.3894    0.2018 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9812    0.9851    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880    1.8921   -0.1207 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9212    3.1713   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8822    3.8686   -1.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2735    5.0529   -1.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7439    6.1712   -2.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8589    7.2420   -2.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481    7.2046   -1.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664    6.0945   -1.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9683    5.0514   -0.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406    3.8485   -0.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239   -0.2568   -0.0422 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378   -1.3228    0.0926 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4181   -2.0009    1.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583   -1.2775    2.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2731   -1.9253    3.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574   -3.3044    3.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386   -4.0353    2.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6206   -3.3883    1.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772   -0.8968   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3056    0.9016    0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.4424   -0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    6.1938   -2.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974    8.1142   -2.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1132    8.0519   -1.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447    6.0384   -0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6120   -2.0750   -0.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1198   -0.1974    2.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420   -1.3518    4.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4665   -3.8092    4.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912   -5.1102    2.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7624   -3.9763    0.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316   -1.4770    0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2857   -1.0138   -1.3131 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 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  6  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, 1229👍, 0💬