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- ChemComp-URF: 5-FLUOROURACIL -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: URF
NameName: 5-fluorouracil
Commentmedication, chemotherapy*YM

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Chemical information

Composition
Formula: C4H3FN2O2 / Number of atoms: 12 / Formula weight: 130.077 / Formal charge: 0
Others

1upf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: URF / Model coordinates PDB-ID: 1UPF
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04FC1=CNC(=O)NC1=O
CACTVS 3.341FC1=CNC(=O)NC1=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)F

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SMILES CANONICAL

CACTVS 3.341FC1=CNC(=O)NC1=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)F

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InChI

InChI 1.03InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

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InChIKey

InChI 1.03GHASVSINZRGABV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-fluoropyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.05-fluoro-1H-pyrimidine-2,4-dione

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