Molecule FYI-1006469

A

Molecule Summary:

ID: FYI-1006469
Names:
InChIKey: REYYLXGHNNBEPJ-UHFFFAOYSA-N
SMILES: Cc1cc(C)c2c(c1)CCN2c3ncnc4[nH]cnc34

Received at FYIcenter.com on: 2023-12-25

Molecule ID: FYI-1006469 Edit

Molecule Structure InChIKey: REYYLXGHNNBEPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C)c2c(c1)CCN2c3ncnc4[nH]cnc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006469
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3691    5.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510    6.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511    6.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1040    5.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353    4.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833    5.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2652    7.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8990    7.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1534    3.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2132    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  9 15  2  0  0  0  0
  8 12  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  2 20  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006469-3D
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.2457   -0.1481   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.1076   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919   -1.2965   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010   -1.2952   -0.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980   -2.6204   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467   -0.0635   -0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7781    1.1162   -0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    1.1156   -0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6726    2.3057   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0492    1.6511   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9233    0.2390   -0.6588 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0311   -0.5610   -0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7142   -0.3723    0.8206 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6831   -1.2442    1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0717   -2.3545    0.5155 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450   -2.4482   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5769   -3.4529   -1.5769 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9066   -3.0686   -2.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1943   -1.9820   -2.4951 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4985   -1.5902   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665   -1.1771    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912    0.3647   -0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171    0.3369    0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   -2.2477   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -3.4415   -0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3283   -2.6565    0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714   -2.8258   -1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8555    2.0526   -0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4845    3.0306    0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5679    2.7902   -1.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3553    1.7382    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7980    2.1753   -0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2163   -1.0179    2.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0973   -4.3055   -1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9620   -3.6254   -3.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

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2023-12-31, 2093👍, 0💬