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UG4 : Summary
Code ![](/pdbe/static/images/help.png)
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UG4
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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-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide
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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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C9 H9 N5 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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203.201 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 |
c1(cccnc1)n2c(c(nc2)C(N)=O)N |
SMILES
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CACTVS |
3.385 |
NC(=O)c1ncn(c2cccnc2)c1N |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(cnc1)n2cnc(c2N)C(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(=O)c1ncn(c2cccnc2)c1N |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(cnc1)n2cnc(c2N)C(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-2-1-3-12-4-6/h1-5H,10H2,(H2,11,15) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WZVCHXNAUQIDJM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (15 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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2020-05-16
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-19
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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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