Molecule FYI-1009296

A

Molecule Summary:

ID: FYI-1009296
Names:
InChIKey: YUMBBKRCRFMMBC-UHFFFAOYSA-N
SMILES: Cc1noc(C)c1c4cccc(C3(c2ccccc2)N=C(O)N=C3O)c4

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

Molecule ID: FYI-1009296 Edit

Molecule Structure InChIKey: YUMBBKRCRFMMBC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1noc(C)c1c4cccc(C3(c2ccccc2)N=C(O)N=C3O)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009296
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.6751    3.6960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4515    2.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1608    3.5642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2154    2.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9218    1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3038    1.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3472    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0596    3.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305    4.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747    1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798    1.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7091    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016    4.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073    5.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964    6.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0918    6.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5982    4.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9810    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6153    8.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963    9.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003    9.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983    8.5934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    7.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1615    6.0894    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  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  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  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
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 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009296-3D
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
    0.3183    0.3046    2.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1762    0.1016    0.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889   -1.1482    0.4969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0265   -1.0297   -0.8694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0110    0.2826   -1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1666    0.5470   -2.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263    1.0634   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1186    2.5216   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7094    3.2737   -1.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6006    4.6639   -1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0993    5.3258   -0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6829    4.6121    0.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5123    5.3379    2.0262 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0222    5.3361    1.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7327    4.1286    1.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1257    4.1120    1.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8392    5.3039    1.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1572    6.5141    1.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7627    6.5312    1.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9814    6.7491    2.2080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5933    6.7660    3.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0678    7.8549    3.9987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7066    5.6781    4.2357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396    4.8316    3.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374    3.6077    3.8598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447    3.2090    0.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3965   -0.6491    2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2183    0.8868    2.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3084   -0.3799   -3.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7249    1.0339   -3.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318    1.1912   -2.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588    2.7967   -1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491    5.2321   -1.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2189    3.1715    1.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6501    3.1628    1.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9249    5.2890    1.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7116    7.4491    1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2660    7.4969    1.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0504    8.5484    3.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886    3.5473    4.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123    2.6344    1.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  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
  5  7  2  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-15, 160👍, 0💬