Molecule Editor

Molecule ID: FYI-1015389 Edit

Molecule Structure InChIKey: UOSONECPGHSYNS-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(O)(CC[NH3+])=NP(=O)([O-])OCC3OC(n2cnc1c(N)ncnc12)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015389
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.3852    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0852    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6852    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2976    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2976    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5101    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.0852    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727    4.9000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.5727    6.1124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.1727    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4478    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2354    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9565    4.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7197    2.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1503    1.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0891    2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1295    1.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    3.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274    5.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    4.7968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    3.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    1.4427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.1892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    2.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1509    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015389-3D
FYIcenter.com

 53 55  0  0  1  0  0  0  0  0999 V2000
    0.5865    1.4394    1.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9296    2.0196    3.0217 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015    3.1788    2.1844 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017    3.0103    4.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0937    4.5042    4.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    5.1848    5.6600 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9245    0.9929    2.2752 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7048    0.6152    2.3640 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.6045   -0.9040    2.6614 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2640    0.5943    0.7235 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0657    1.2016    3.3763 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8801    0.0606    3.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4101    0.2530    3.9398 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9930   -0.9867    4.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9377   -0.7139    5.3923 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1763   -1.4921    5.2179 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4496   -2.4137    4.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6918   -2.9579    4.3735 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1957   -2.3431    5.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4431   -2.4913    6.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4177   -3.3860    5.5634 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6989   -1.7281    7.1652 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7698   -0.8521    7.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5459   -0.7185    7.0637 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2906   -1.4742    5.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2001    0.7926    5.3735 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2071    1.0867    4.4242 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8130    1.3014    4.9813 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9505    1.3032    6.1005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824    2.2461    1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625    0.4802    2.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9438    1.3613    0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1129    1.1245    3.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426    3.3352    1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5644    2.8261    4.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306    2.5794    5.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0071    4.5902    4.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7338    4.8098    6.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3606    5.0538    5.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8930   -0.6876    2.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4441   -0.3952    4.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8992    0.5114    2.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4734   -0.9976    6.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7588   -2.6901    3.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2320   -3.9651    4.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3308   -3.4674    6.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0061   -0.2609    8.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5439    1.2019    6.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8214    1.4059    3.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8137    2.3310    4.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    0.3736    6.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  2  0  0  0  0
  2 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END
$$$$