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TAQ : Summary
Code ![](/pdbe/static/images/help.png)
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TAQ
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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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2,4,6-TRIAMINOQUINAZOLINE
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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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C8 H9 N5
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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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175.191 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 |
10.04 |
n2c1c(cc(cc1)N)c(nc2N)N |
SMILES
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CACTVS |
3.341 |
Nc1ccc2nc(N)nc(N)c2c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c(cc1N)c(nc(n2)N)N |
Canonical SMILES
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CACTVS |
3.341 |
Nc1ccc2nc(N)nc(N)c2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c(cc1N)c(nc(n2)N)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LJBWEZVYRBKOCI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (13 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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2004-06-02
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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