Molecule FYI-1003030

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A

Molecule Summary:

ID: FYI-1003030
Names:
InChIKey: SYIWKZGUXQFEFY-SNAWJCMRSA-N
SMILES: C=Cc1nc(S/C=C/C(CN)CN)nc(N)c1C

Received at FYIcenter.com on: 2023-05-07

Molecule ID: FYI-1003030 Edit

Molecule Structure InChIKey: SYIWKZGUXQFEFY-SNAWJCMRSA-N

Molecule Structure SMILES String: C=Cc1nc(S/C=C/C(CN)CN)nc(N)c1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003030
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
   10.9120    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    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  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003030-3D
FYIcenter.com

 37 37  0  0  0  0  0  0  0  0999 V2000
    5.9584    1.9558   -1.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3868    0.8504   -0.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4430   -0.0186   -1.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1624    0.3652   -2.9092 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3077   -0.3979   -3.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0013    0.0361   -5.2989 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587    0.9845   -5.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9226    1.4584   -6.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    2.3167   -6.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0797    3.7182   -6.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    3.7050   -8.2245 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5343    1.6354   -6.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9305    0.3818   -6.2343 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210   -1.5083   -3.1324 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0241   -1.8708   -1.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3654   -3.0162   -1.4323 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -1.1559   -1.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898   -1.5679    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    2.5453   -0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7612    2.2972   -2.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6338    0.5753    0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781    1.1938   -4.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3058    1.2226   -7.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132    2.4850   -5.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    4.2231   -6.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9807    4.3307   -6.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491    3.2249   -8.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178    4.6628   -8.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064    1.4299   -7.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3975    2.3116   -6.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534   -0.2777   -6.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913   -0.0373   -6.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276   -3.3820   -2.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0033   -3.7121   -1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -2.4786    0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8849   -0.7811    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606   -1.7642    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END
$$$$

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2023-05-31, 2642👍, 0💬