Molecule FYI-1003157

A

Molecule Summary:

ID: FYI-1003157
Names:
InChIKey: QXAITBQSYVNQDR-ZIOPAAQOSA-N
SMILES: Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2

Received at FYIcenter.com on: 2023-05-17

Molecule ID: FYI-1003157 Edit

Molecule Structure InChIKey: QXAITBQSYVNQDR-ZIOPAAQOSA-N

Molecule Structure SMILES String: Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003157
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
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 18 17  1  0  0  0  0
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 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003157-3D
FYIcenter.com

 45 46  0  0  0  0  0  0  0  0999 V2000
    2.5061    1.0700   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277    0.2859   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1533   -0.9619    0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578   -1.6642    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174   -1.1498   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4639   -1.8032    0.0576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5509   -3.0875   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7111   -3.8469   -0.0224 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9939   -3.1367   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7844   -5.2311   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8527   -5.9545   -0.1173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7396   -7.3602   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -8.0482   -0.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6268   -9.4414   -0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5710  -10.1842    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4856  -11.6801    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6161   -9.5109    0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7109   -8.1081    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8604   -7.4235    1.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460    0.1115   -0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3439    0.7620   -1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0742    0.8144   -0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3228    0.5231    0.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1153    1.7939   -1.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 29  1  0  0  0  0
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 10 32  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 35  1  0  0  0  0
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 19 40  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$

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