Molecule FYI-1005112

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A

Molecule Summary:

ID: FYI-1005112
Names:
InChIKey: MAOABMVKXVXKFA-UHFFFAOYSA-N
SMILES: O=Cc2cnc1cccnc1c2

Received at FYIcenter.com on: 2023-10-13

Molecule ID: FYI-1005112 Edit

Molecule Structure InChIKey: MAOABMVKXVXKFA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc2cnc1cccnc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005112
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 12  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005112-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
   -4.1034    0.0162   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2296    1.6306    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -1.4886    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6374   -0.6269    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8064    0.7689    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6685   -1.1022    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504   -0.2312    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    1.2442   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787    1.1193    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942    0.3731   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225   -0.9774   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1157   -0.7258   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8415   -2.1774    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3005    2.3159   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2666    1.8658    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2124    0.7437   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230   -1.7093   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2443   -1.8216   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

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2023-10-27, 3518👍, 0💬