Molecule FYI-1006342

A

Molecule Summary:

ID: FYI-1006342
Names:
InChIKey: ABCOOORLYAOBOZ-UHFFFAOYSA-L
SMILES: NC(=O)c2ncn(C1OC(COP(=O)([O-])[O-])C(O)C1O)c2NC=O

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006342 Edit

Molecule Structure InChIKey: ABCOOORLYAOBOZ-UHFFFAOYSA-L

Molecule Structure SMILES String: NC(=O)c2ncn(C1OC(COP(=O)([O-])[O-])C(O)C1O)c2NC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006342
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.3264   12.1359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139   11.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139   10.0359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    9.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    8.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    7.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    7.9436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7955    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    5.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281    5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2192    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789    2.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4699    1.3695    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    1.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7610    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8394    1.6605    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8650    6.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    5.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    7.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344    8.5768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314   11.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719   12.2115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006342-3D
FYIcenter.com

 37 38  0     1  0  0  0  0  0999 V2000
    5.7650    0.2825    0.3787 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.9742   -0.1279    0.9682 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5122   -2.7761   -0.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901    0.5194   -1.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3119    0.4001   -0.3991 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7459   -0.0468   -0.7425 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5739   -0.8469    1.3869 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9799    1.6565    1.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3133    1.2892   -1.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9379   -2.8417    0.6906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2952    0.2111    0.1518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3256    2.1433   -0.2182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401   -1.3150    0.4213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3276    1.7272    1.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -1.3687   -0.9802 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6801   -0.7016   -1.2094 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1562   -0.7667    0.3413 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1571   -0.4320    0.2116 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1534    0.7035    0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6331   -0.0644    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1595    1.5486   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484    1.1433   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6589    1.3867   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4859   -1.7238    0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3629   -1.2111   -1.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3947   -1.3180   -1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -1.5200    1.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806   -1.3550    0.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3994    0.8485    1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398    1.6555    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -3.1573   -0.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390    0.2972   -2.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978    2.0357   -0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4617   -2.0585    0.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1827   -0.8982    0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8410    1.8093    1.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3272    1.9004    1.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  1  0  0  0  0
  3 31  1  0  0  0  0
  4 16  1  0  0  0  0
  4 32  1  0  0  0  0
  5 19  1  0  0  0  0
  9 23  2  0  0  0  0
 10 24  2  0  0  0  0
 11 17  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 21  2  0  0  0  0
 12 22  1  0  0  0  0
 13 20  1  0  0  0  0
 13 24  1  0  0  0  0
 13 34  1  0  0  0  0
 14 23  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 24 35  1  0  0  0  0
M  END
$$$$

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2023-12-29, 282👍, 0💬