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- ChemComp-FIQ: 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: FIQ
NameName: 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione

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Chemical information

Composition
Formula: C8H10N2O2 / Number of atoms: 22 / Formula weight: 166.177 / Formal charge: 0
Others

7z4u

Type: non-polymer / PDB classification: HETAIN / Three letter code: FIQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Z4U
History
Create componentJan 24, 2022
Initial releaseMar 16, 2022
Modify descriptorAug 22, 2022
External linksUniChem / ChemSpider / ChEMBL / PubChem / 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

CACTVS 3.385CN1C(=O)NC(=CC1=O)C2CC2
OpenEye OEToolkits 2.0.7CN1C(=O)C=C(NC1=O)C2CC2

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SMILES CANONICAL

CACTVS 3.385CN1C(=O)NC(=CC1=O)C2CC2
OpenEye OEToolkits 2.0.7CN1C(=O)C=C(NC1=O)C2CC2

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InChI

InChI 1.06InChI=1S/C8H10N2O2/c1-10-7(11)4-6(5-2-3-5)9-8(10)12/h4-5H,2-3H2,1H3,(H,9,12)

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InChIKey

InChI 1.06SJCKLNPJUZKFGN-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7z4u:
Crystal structure of YTHDF2 with compound YLI_DF_028

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