Molecule FYI-1004672

A

Molecule Summary:

ID: FYI-1004672
Names:
InChIKey: YIZSMYFAXOXELT-SYZQJQIISA-N
SMILES: CCNC/C=C(CC2=CN(c1cncnc1N)COC2)/NC(=O)O/N=C(N)/c3cc(C)on3

Received at FYIcenter.com on: 2023-09-20

Molecule ID: FYI-1004672 Edit

Molecule Structure InChIKey: YIZSMYFAXOXELT-SYZQJQIISA-N

Molecule Structure SMILES String: CCNC/C=C(CC2=CN(c1cncnc1N)COC2)/NC(=O)O/N=C(N)/c3cc(C)on3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004672
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
   15.4220    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 32  1  0  0  0  0
 33  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004672-3D
FYIcenter.com

 60 62  0  0  0  0  0  0  0  0999 V2000
    0.6610   -0.8526    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -0.7505   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -2.0382   -0.3182 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2396   -1.7578   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1282   -2.9643   -0.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2717   -1.7810   -0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3713   -1.2333   -1.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-23, 1432👍, 0💬