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P0K : Summary
Code ![](/pdbe/static/images/help.png)
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P0K
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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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6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-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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C11 H13 N3 O3
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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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235.239 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 |
CN(CC1=NC(=O)NC(=O)C1)Cc2occc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2 |
Canonical SMILES
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CACTVS |
3.385 |
CN(CC1=NC(=O)NC(=O)C1)Cc2occc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H13N3O3/c1-14(7-9-3-2-4-17-9)6-8-5-10(15)13-11(16)12-8/h2-4H,5-7H2,1H3,(H,13,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PWXNLVGSEBBXAV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (17 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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2020-04-14
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-10
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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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