Molecule FYI-1006661

A

Molecule Summary:

ID: FYI-1006661
Names:
InChIKey: DEGMNFLHEBBEEV-UHFFFAOYSA-N
SMILES: Cc3c(c1ccc(N)cc1)c(=O)oc4cc(OCCn2ccnn2)ccc34

Received at FYIcenter.com on: 2024-01-10

Molecule ID: FYI-1006661 Edit

Molecule Structure InChIKey: DEGMNFLHEBBEEV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(c1ccc(N)cc1)c(=O)oc4cc(OCCn2ccnn2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006661
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.7029    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.8077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    2.8000    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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  1  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
 19 15  1  0  0  0  0
 20 11  2  0  0  0  0
 20  7  1  0  0  0  0
 21  3  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
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 27 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006661-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
   -0.2810   -2.9973   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649   -1.5152   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8101   -0.9835   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0196   -1.8318   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6009   -2.2625    1.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7947   -2.9920    1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4053   -3.3357   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6809   -3.9095   -0.0674 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8381   -2.8735   -1.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437   -2.1457   -1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0377    0.4934    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1626    0.9859    0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9211    1.3062   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    0.7699   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086    1.7105    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7297    1.2799    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8233    2.1070   -0.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207    3.3815    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9183    4.1787    0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644    5.4651    1.2274 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    6.7061    0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5751    7.5519    1.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212    6.8185    2.8426 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4490    5.5358    2.5320 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5989   -0.6031   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1804   -3.6158   -0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534   -3.3065    0.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271   -3.2516   -0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1561   -2.0012    2.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2579   -3.2683    2.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8930   -4.4667    0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9261   -4.3763   -0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3350   -3.0567   -2.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1397    2.7605   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959    3.2243    1.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    3.9577    0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2376    4.3443   -0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7310    3.6459    1.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1113    6.8801   -0.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    8.6317    1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1973   -2.0771   -0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  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
 14 27  2  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
$$$$

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2024-01-15, 210👍, 0💬