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YS6 : Summary
Code ![](/pdbe/static/images/help.png)
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YS6
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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1-pyridin-4-ylthiourea
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C6 H7 N3 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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153.205 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
NC(=S)Nc1ccncc1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cnccc1NC(=S)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(=S)Nc1ccncc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cnccc1NC(=S)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H7N3S/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HLOFIQOOOSRNFY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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17 (10 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2016-03-12
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Last modified at ![](/pdbe/static/images/help.png)
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2016-03-25
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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