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PW7 : Summary
Code ![](/pdbe/static/images/help.png)
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PW7
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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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4-(trifluoromethyl)pyrimidin-2-amine
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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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C5 H4 F3 N3
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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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163.101 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Nc1nc(ccn1)C(F)(F)F |
SMILES
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CACTVS |
3.385 |
Nc1nccc(n1)C(F)(F)F |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cnc(nc1C(F)(F)F)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1nccc(n1)C(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cnc(nc1C(F)(F)F)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NKOTXYPTXKUCDL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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15 (11 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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2019-08-27
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Last modified at ![](/pdbe/static/images/help.png)
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2019-12-20
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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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