Molecule FYI-1015671

A

Molecule Summary:

ID: FYI-1015671
Names:
InChIKey: HBOMLICNUCNMMY-XLPZGREQSA-N
SMILES: Cc2cn([C@H]1C[C@H](N=N#N)[C@@H](CO)O1)c(=O)[nH]c2=O

Received at FYIcenter.com on: 2025-09-24

Molecule ID: FYI-1015671 Edit

Molecule Structure InChIKey: HBOMLICNUCNMMY-XLPZGREQSA-N

Molecule Structure SMILES String: Cc2cn([C@H]1C[C@H](N=N#N)[C@@H](CO)O1)c(=O)[nH]c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015671
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
    3.4225    5.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    5.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0719    9.4284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1474    5.3742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3354    7.4767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    2.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9805    1.1879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5351    4.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7248    3.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3005    4.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3354    6.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    3.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    6.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    7.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0719    8.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9805    5.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054    7.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  2  0  0  0  0
  3 17  2  0  0  0  0
  4 18  1  0  0  0  0
 10  5  1  1  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  3  0  0  0
 11  7  1  6  0  0  0
  8  9  3  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 18  1  1  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015671-3D
FYIcenter.com

 32 33  0     1  0  0  0  0  0999 V2000
    0.9179    0.5315    1.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340    3.2516    0.6483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993   -2.8368    0.4450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0002   -0.0735   -0.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9903   -0.5506    0.2031 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3762   -1.0751    0.0188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862   -1.4472    0.0750 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937   -0.8733   -0.1225 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7139   -0.6970   -0.2456 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.4910   -0.1125   -0.6492 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4293   -0.6519    0.3715 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1682   -0.7776   -0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1078    0.9803    0.3408 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7880    2.3039   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5482    0.7051   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8206   -1.6939    0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552    0.9375   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7898   -0.2184   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4299    2.2977   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649    0.2740   -1.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6659   -1.5024    1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6532   -0.2222   -1.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519   -1.8182   -1.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8723    1.1458    1.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9645    2.2269   -1.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6654    2.6841   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8711    1.5458   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8003   -2.2562    0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6725    2.8968    1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9504    2.3326   -1.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6564    3.0728   -0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1431    2.5525    0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

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