Molecule FYI-1001611

Home > Molecule

A

Molecule Summary:

ID: FYI-1001611
SMILES: C1(NC(=NC2=C1N=C(CN2)C(O)C(COP(OP(OP(O)(=O)O)(=O)O)(=O)O)O)N)=O.P

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

Molecule ID: FYI-1001611 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.P

Download SDF Download SVG Structure in 2D SDF:

FYI-1001611
FYIcenter.com

 50 50  0  0  0  0  0  0  0  0999 V2000
   -6.4605    0.0262    1.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7205   -0.1479    2.1686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7791    0.3623    1.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6203    1.0338    0.3585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4073    1.2386   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2760    0.7464    0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0321    0.9757    0.0083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8308    1.8300   -0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9561    2.6550   -1.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2224    1.9233   -1.3360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4376    2.0093   -1.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0203    3.3621   -1.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4781    1.0692   -0.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457    1.3387   -1.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640    0.3848   -0.6168 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233    0.3704   -0.8859 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0786   -0.9103   -0.1629 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4991   -1.6583   -0.2848 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3703   -3.1531    0.2992 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2834   -4.4754    0.1994 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220   -5.1298   -1.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008   -4.1142    0.4245 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8158   -5.5361    1.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9050   -1.7175   -1.7068 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067   -0.8471    0.5562 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6762    0.2978   -2.3423 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803    1.7156   -0.2935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5720    1.2951    0.6609 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0435    0.1729    1.9719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5063   -0.4242    2.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0016    6.3638    1.4990 P   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8716   -0.6404    2.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0125    3.6073   -0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7763    2.8343   -2.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8998    1.9222   -2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4318    1.7768   -2.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0016    3.6386   -0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7433    0.0353   -0.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9941    1.2530   -2.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7494    2.3440   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165   -5.3914   -1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3237   -6.3589    1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4053   -0.7688    1.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533    1.8292    0.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493    2.1968    0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1754   -0.3193    2.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8075    0.5309    1.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4494    5.0581    1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0939    6.1681    0.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0630    7.0303    0.6676 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
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  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
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 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 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 21 41  1  0  0  0  0
 23 42  1  0  0  0  0
 25 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001611-3D
FYIcenter.com

 50 50  0  0  1  0  0  0  0  0999 V2000
    1.0269    2.6021   -1.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819    3.2013   -2.4765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4454    2.4964   -3.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5058    1.2080   -3.3682 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801    0.5184   -2.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144    1.1117   -1.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124    0.4637   -0.8639 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3228   -0.7916   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -1.6564   -1.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2808   -0.8614   -2.5557 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5939   -1.5040   -0.6270 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9802   -2.4935   -1.5814 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7654   -0.5264   -0.3524 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0518   -1.1761    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6467   -2.0367   -0.7411 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1367   -2.8092   -0.3213 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.6770   -4.0357   -1.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1425   -5.2521   -2.0770 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.9197   -5.4564   -3.0792 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047   -5.8891   -2.4890 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.3689   -7.3949   -3.0064 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2470   -5.7451   -1.0262 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -5.1888   -3.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5201   -5.2528   -2.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9272   -6.5038   -1.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9004   -1.8020   -1.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6266   -3.5818    0.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1095    0.1289   -1.5884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260    3.2100   -4.3101 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839    3.2714   -0.6326 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1854   -1.4769    2.3586 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2772    4.2061   -2.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8927   -2.3877   -1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8684   -2.1946   -2.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0956   -1.1771   -3.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254   -2.0327    0.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3579   -2.0093   -2.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    0.2436    0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8384   -1.7363    1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7785   -0.3869    0.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9481   -7.9962   -2.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5306   -5.5312   -3.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831   -6.5536   -0.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6089   -4.5463    0.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8381   -0.3774   -1.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4086    4.1572   -4.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8009    2.6607   -4.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3716   -0.7046    2.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937   -0.9380    1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850   -0.5535    3.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 30  2  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 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 41  1  0  0  0  0
 23 42  1  0  0  0  0
 25 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1450👍, 0💬