Molecule FYI-1009288

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A

Molecule Summary:

ID: FYI-1009288
Names:
InChIKey: XCJNJNPQGWZGMC-UHFFFAOYSA-N
SMILES: CN2CCC1=NC(C(N)=O)S=C1C2

Received at FYIcenter.com on: 2024-05-07

Molecule ID: FYI-1009288 Edit

Molecule Structure InChIKey: XCJNJNPQGWZGMC-UHFFFAOYSA-N

Molecule Structure SMILES String: CN2CCC1=NC(C(N)=O)S=C1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009288
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.9958    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958    6.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834    6.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710    6.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834    3.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834    8.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5306    3.7038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4923    2.5712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  2  0  0  0  0
  5  8  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009288-3D
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    2.0309    1.0050    1.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5473   -0.0777    2.2707 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    0.4118    3.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6521   -0.6818    3.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2815   -1.0498    2.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412   -1.1498    1.9718 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7140   -1.1444    0.4715 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4427   -2.4169    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3217   -2.9610    0.8870 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3111   -2.9128   -1.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126   -0.9194   -0.4319 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3465   -1.1577    1.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9072   -1.2409    1.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7877    1.3789    0.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6777    1.8400    2.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1712    0.6575    0.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1983    0.8644    4.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1965    1.2100    2.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1564   -1.5458    4.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4041   -0.2931    4.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3373   -0.2787    0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2616   -2.6900    1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7664   -3.8322    0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9938   -2.1158   -0.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405   -2.1515    2.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990   -1.3393    0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$

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2024-05-15, 179👍, 0💬