Molecule FYI-1015951

A

Molecule Summary:

ID: FYI-1015951
Names:
InChIKey: DFFWFFJMXCAPKS-UHFFFAOYSA-N
SMILES: O=N(=O)N1C4C2N(N(=O)=O)C1C3N(N(=O)=O)C(C(N2N(=O)=O)N3(=O)N(=O)=O)N4N(=O)=O

Received at FYIcenter.com on: 2025-11-05

Molecule ID: FYI-1015951 Edit

Molecule Structure InChIKey: DFFWFFJMXCAPKS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)N1C4C2N(N(=O)=O)C1C3N(N(=O)=O)C(C(N2N(=O)=O)N3(=O)N(=O)=O)N4N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015951
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.1241    3.6824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0338    4.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0338    5.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9435    3.6824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935    4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9510    3.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5805    2.1686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0685    1.0185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    0.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8120    2.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120    6.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5435    6.7437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    7.8939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3075    8.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155    8.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    5.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3306    4.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7197    3.5206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772    2.5851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    2.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663    1.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1805    5.2300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2463    3.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0902    4.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0902    3.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4044    5.3918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2468    6.3273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4782    6.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578    7.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  2  0  0  0  0
 23 18  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  2  0  0  0  0
 28 17  1  0  0  0  0
 28  5  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015951-3D
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    3.4077    1.1838   -0.2992 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.0472   -0.0042 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023   -0.2655    0.8771 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   -0.9586   -0.7634 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.3050   -0.2991 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5467   -2.7081    0.4811 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5077   -1.5993    0.3180 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6050   -0.7315    1.4026 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2956    0.2647    1.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9674   -1.0178    2.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0574   -0.9548   -0.9079 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6061   -1.7534   -2.2991 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3879   -2.1343   -3.0270 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5775   -2.2022   -4.4034 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3605   -1.3716   -4.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8763   -2.9973   -5.0222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0060   -3.4165   -2.3351 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3314   -3.9712   -1.5032 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1849   -3.9084   -0.0283 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2161   -4.3938    0.7497 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8026   -5.3747    0.3066 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4553   -3.7973    1.8062 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368   -3.1112   -2.1782 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3794   -3.7565   -3.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7261   -3.0708   -1.7655 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2583   -1.9573   -1.7614 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   -4.1459   -1.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608   -3.1295   -1.4593 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141   -2.6841   -2.1363 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9769   -1.9061   -1.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616   -3.0916   -3.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4056   -2.4040    0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2285   -2.9111    1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206    0.0720   -1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2827   -1.0629   -2.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -4.2258   -3.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4966   -5.0171   -1.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 338👍, 0💬