Molecule FYI-1001612

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Molecule Summary:

ID: FYI-1001612
SMILES: C1(NC(=NC2=C1N=C(CN2)C(O)C(COP(OP(OP(O)(=O)O)(=O)O)(=O)O)O)N)=O

Received at FYIcenter.com on: 2022-09-30

Molecule ID: FYI-1001612 Edit

Molecule Structure SMILES String: C1(NC(=NC2=C1N=C(CN2)C(O)C(COP(OP(OP(O)(=O)O)(=O)O)(=O)O)O)N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001612
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
    4.2690   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.6380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.4313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953   -1.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -0.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632   -0.6409    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.1273   -1.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9952   -0.6476    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632   -0.1509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7273   -0.6542    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.5914   -1.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2239   -1.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2306    0.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1441    1.5011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    2.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1295   -0.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9227    0.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1798   -2.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4586    0.7613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2090    1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.0866    0.0000 H   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  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  6  1  0  0  0  0
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 16 26  2  0  0  0  0
 16 27  1  0  0  0  0
 13 28  1  0  0  0  0
  3 29  1  0  0  0  0
  1 30  2  0  0  0  0
  2 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 21 40  1  0  0  0  0
 23 41  1  0  0  0  0
 25 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001612-3D
FYIcenter.com

 46 47  0  0  1  0  0  0  0  0999 V2000
   -0.7992    0.5475    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9728    0.5071    0.9797 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -0.6207    1.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8438   -1.7731    1.4042 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583   -1.8058    0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231   -0.7091    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3829   -0.6867   -0.0282 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0279   -1.8150    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3599   -3.1618    0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0663   -3.0383    0.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5514   -1.9462    0.0125 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7665   -2.7556   -1.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4603   -0.7127   -0.0309 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4578    0.2305    1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9880   -0.3860    2.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989    0.6361    3.7712 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.2984   -0.4122    4.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2004   -2.6862    4.4094 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1288   -4.7890    1.6627 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7658   -3.5033    1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8696   -2.5740    0.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1589   -3.2795    2.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684   -4.2808    0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0866   -1.5841    0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 36  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 40  1  0  0  0  0
 23 41  1  0  0  0  0
 25 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1107👍, 0💬