Molecule FYI-1013860

Home > Molecule

A

Molecule Summary:

ID: FYI-1013860
Names:
InChIKey: KLENWPJUGFWSKI-UHFFFAOYSA-N
SMILES: CC24C1N=C3C=C1C2N34

Received at FYIcenter.com on: 2025-02-05

Molecule ID: FYI-1013860 Edit

Molecule Structure InChIKey: KLENWPJUGFWSKI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC24C1N=C3C=C1C2N34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013860
FYIcenter.com

  9 12  0  0  0  0  0  0  0  0999 V2000
    2.8067    2.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    1.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359    2.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883    1.4652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399    2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359    1.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2957    0.7382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013860-3D
FYIcenter.com

 15 18  0  0  1  0  0  0  0  0999 V2000
   10.0058    0.7961   -0.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6179    1.1538   -0.8837 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1300    2.3228   -1.6596 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3713    3.0767   -0.5888 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    1.9995   -0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7376    1.7271   -1.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8466    1.3290   -2.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5743    0.2406   -1.3433 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4728    0.8259    0.0252 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6639    1.6612   -0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3648   -0.0003   -1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1118    0.4554    0.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6873    2.8875   -2.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0849    2.5191   -1.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6151   -0.8223   -1.4603 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
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  3  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  3  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 345👍, 0💬