Molecule FYI-1014582

A

Molecule Summary:

ID: FYI-1014582
Names:
InChIKey: UHEIPGJSFDAPIC-NENXIMLWSA-N
SMILES: N=C(N)N/N=C/1CCc2c(C(=N)N)cccc12.Cl.Cl

Received at FYIcenter.com on: 2025-04-29

Molecule ID: FYI-1014582 Edit

Molecule Structure InChIKey: UHEIPGJSFDAPIC-NENXIMLWSA-N

Molecule Structure SMILES String: N=C(N)N/N=C/1CCc2c(C(=N)N)cccc12.Cl.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1014582
FYIcenter.com

 19 18  0  0  0  0  0  0  0  0999 V2000
    2.4234    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2849    2.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0977    2.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1466    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826    4.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700    4.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365    2.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6985    3.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9156    4.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3944    5.8989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7732    6.1419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2521    7.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3522    8.5300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308    7.7007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7800    7.7656    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.1508    4.2159    0.0000 Cl  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
  8  3  1  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
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014582-3D
FYIcenter.com

 35 34  0  0  0  0  0  0  0  0999 V2000
    1.4928    0.8082    1.7940 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432    1.2943    1.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265    2.4766    1.7571 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381    0.6091    0.1422 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4848    0.7519   -0.1057 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1597   -0.1456   -0.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107   -1.3942   -1.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8553   -2.2392   -1.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0422   -1.3722   -1.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4391   -1.6683   -1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0181   -3.0162   -1.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2923   -3.2158   -1.9099 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2189   -4.1413   -2.2235 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3151   -0.6110   -1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8381    0.6244   -0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4721    0.8578   -0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6013   -0.1534   -0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487   -0.8918   -2.5176 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204    2.3405   -0.3994 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0650   -0.0698    1.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7030    2.9438    2.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    2.9090    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6171   -0.1801   -0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0773   -1.1076   -2.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9424   -1.9547   -0.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8285   -2.5627   -2.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8700   -3.0985   -0.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0207   -2.5365   -1.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2018   -4.1685   -2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6821   -5.0287   -2.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3851   -0.7007   -1.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5356    1.3965   -0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1019    1.8003   -0.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7753   -1.0979   -2.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    2.7394    0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
$$$$

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