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UNC : Summary
Code ![](/pdbe/static/images/help.png)
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UNC
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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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5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE
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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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C4 H4 N4 O4
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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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172.099 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=[N+]([O-])C1=C(C(=O)NC(=O)N1)N |
SMILES
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CACTVS |
3.341 |
NC1=C(NC(=O)NC1=O)[N+]([O-])=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N |
Canonical SMILES
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CACTVS |
3.341 |
NC1=C(NC(=O)NC1=O)[N+]([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C4H4N4O4/c5-1-2(8(11)12)6-4(10)7-3(1)9/h5H2,(H2,6,7,9,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CLOSWQFGCBFNCK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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16 (12 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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2004-10-28
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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