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PZA : Summary
Code 
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PZA
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One-letter code 
|
X
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Molecule name 
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PYRAZINE-2-CARBOXAMIDE
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Synonyms 
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Pyrazinamide
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Systematic names 
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Formula 
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C5 H5 N3 O
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Formal charge 
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0
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Molecular weight 
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123.113 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(N)c1nccnc1 |
SMILES
|
CACTVS |
3.341 |
NC(=O)c1cnccn1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cnc(cn1)C(=O)N |
Canonical SMILES
|
CACTVS |
3.341 |
NC(=O)c1cnccn1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cnc(cn1)C(=O)N |
|
IUPAC InChI  | InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) |
IUPAC InChI key  | IPEHBUMCGVEMRF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
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14 (9 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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NON-POLYMER
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Type code 
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HETAIN
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Is modified 
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No
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Standard parent 
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Not Assigned
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Defined at 
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2004-09-06
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Last modified at 
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2016-03-28
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Status 
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Released
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Obsoleted 
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Not Assigned
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