Molecule FYI-1009365

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Molecule Summary:

ID: FYI-1009365
Names:
InChIKey: YQAGOJQPCRBHNM-UHFFFAOYSA-N
SMILES: COC1C=C(N)N=CN1

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009365 Edit

Molecule Structure InChIKey: YQAGOJQPCRBHNM-UHFFFAOYSA-N

Molecule Structure SMILES String: COC1C=C(N)N=CN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009365
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009365-3D
FYIcenter.com

 18 18  0  0  1  0  0  0  0  0999 V2000
    1.2974   -0.0232    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020   -0.2191   -0.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9985    0.9408   -0.8514 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0007    1.5639   -1.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    2.8382   -1.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6401    3.3398   -2.4850 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053    3.6589   -0.6631 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826    3.1480    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4880    1.8897    0.0979 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005   -0.9350    1.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503    0.1370   -0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3842    0.8068    1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8482    0.6048   -1.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873    0.9261   -2.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6602    2.9315   -3.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    4.3546   -2.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4068    3.7623    0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0067    1.5150    0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1443👍, 0💬