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IPZ : Summary
Code ![](/pdbe/static/images/help.png)
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IPZ
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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-ISOPROPYL-3-METHOXYPYRAZINE
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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 H12 N2 O
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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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152.194 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 |
O(c1nccnc1C(C)C)C |
SMILES
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CACTVS |
3.341 |
COc1nccnc1C(C)C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)c1c(nccn1)OC |
Canonical SMILES
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CACTVS |
3.341 |
COc1nccnc1C(C)C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)c1c(nccn1)OC |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NTOPKICPEQUPPH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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23 (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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2003-09-16
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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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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