Molecule FYI-1003813

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A

Molecule Summary:

ID: FYI-1003813
Names:
InChIKey: OETHQSJEHLVLGH-UHFFFAOYSA-N
SMILES: CN(C)C(=N)NC(=N)N.Cl

Received at FYIcenter.com on: 2023-07-27

Molecule ID: FYI-1003813 Edit

Molecule Structure InChIKey: OETHQSJEHLVLGH-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)C(=N)NC(=N)N.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003813
FYIcenter.com

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.4863    5.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588    4.5573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8743    5.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156    3.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    2.2786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    0.4210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7374    2.7253    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003813-3D
FYIcenter.com

 22 20  0  0  0  0  0  0  0  0999 V2000
    0.9636   -0.5849    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4062   -0.4180    0.1521 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    0.1061    1.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951   -0.7610   -1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709   -0.6098   -1.1631 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546   -1.2678   -2.2046 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8443   -1.6567   -3.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0863   -1.6015   -3.8512 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9122   -2.1293   -4.4630 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6044    3.0488   -0.1389 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5802   -0.2747    1.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6946   -1.6526    0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4480    0.0387   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4776    0.3322    2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    1.0510    1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899   -0.6392    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686   -0.2538   -0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3382   -1.3726   -2.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681   -1.2847   -3.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091   -2.1916   -4.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268   -2.4154   -5.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    2.0624   -1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$

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2023-08-09, 1327👍, 0💬