Molecule Editor

Molecule ID: FYI-1015432 Edit

Molecule Structure InChIKey: PVFSHVITTKOFCV-VMPITWQZSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1cccnc1)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015432
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.8447    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.1477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    0.8554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    0.5643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.7767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4521    3.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8445    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0979    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1384    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3508    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0597    2.0693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9964    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    0.7904    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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 21  2  0  0  0  0
 26 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015432-3D
FYIcenter.com

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.5372    0.1478    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9900    0.2258    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050   -0.7252    0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9112   -2.1752    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8599   -2.7914   -0.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2396   -2.8512    0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4023   -4.1786   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7534   -4.7367    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5885   -4.7782   -1.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8996   -5.2366   -0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3345   -5.6395    0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5597   -5.6162    1.4386 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2913   -5.1643    1.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088   -0.0744    0.4618 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897    1.2260    0.5351 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570    1.4230    0.6032 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1139    2.7149    0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151    3.8176    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959    5.0763    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8693    5.1834    0.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2967    4.1096    1.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9046    4.6135    2.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1039    5.8953    1.7809 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0132    6.2224    1.0577 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1247    7.5760    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413    2.8648    1.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2376   -0.8441   -0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1137   -2.2254    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5721   -4.8619   -0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2343   -4.4423   -2.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5695   -5.2706   -1.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3499   -5.9972    0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7063   -5.1391    2.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    3.6992   -0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    5.9198   -0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3681    7.5513   -0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5254    2.0503    2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 26  2  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
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 25 39  1  0  0  0  0
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 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$