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6UM : Summary
Code ![](/pdbe/static/images/help.png)
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6UM
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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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1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea
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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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C17 H15 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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305.334 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Cc1ncc(NC(=O)Nc2ccccn2)c(n1)c3ccccc3 |
SMILES
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OpenEye OEToolkits |
2.0.5 |
Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1ncc(NC(=O)Nc2ccccn2)c(n1)c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.5 |
Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H15N5O/c1-12-19-11-14(16(20-12)13-7-3-2-4-8-13)21-17(23)22-15-9-5-6-10-18-15/h2-11H,1H3,(H2,18,21,22,23) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NWPAIRZLGKDVNX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (23 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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2016-06-27
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Last modified at ![](/pdbe/static/images/help.png)
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2016-12-22
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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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