Molecule FYI-1006494

A

Molecule Summary:

ID: FYI-1006494
Names:
InChIKey: UNHJAEZGAIPGGH-UHFFFAOYSA-N
SMILES: O=C(CSc2nc1nccnc1c(=O)n2CCc3ccccc3)NC4=NCCS4

Received at FYIcenter.com on: 2023-12-28

Molecule ID: FYI-1006494 Edit

Molecule Structure InChIKey: UNHJAEZGAIPGGH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CSc2nc1nccnc1c(=O)n2CCc3ccccc3)NC4=NCCS4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006494
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006494-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
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    0.5512    1.4497   -4.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3866    1.5448   -3.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266   -0.1298   -3.0464 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027   -0.6842   -4.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3684    0.2581   -5.0684 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0863   -0.0850   -6.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    0.9699   -6.8860 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-01-10, 2148👍, 0💬