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- ChemComp-SJK: 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[... -

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Basic information

EntryDatabase: PDB chemical components / ID: SJK
NameName: 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

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Chemical information

Composition
Formula: C9H11N3O2S2 / Number of atoms: 27 / Formula weight: 257.333 / Formal charge: 0
Others

7afv

Type: non-polymer / PDB classification: HETAIN / Three letter code: SJK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AFV
History
Create componentNov 17, 2020
Initial releaseDec 9, 2020
External linksUniChem / ChemSpider / PubChem / 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 3.385SCCNC(=O)C1=CN=C2SCCN2C1=O
OpenEye OEToolkits 2.0.7C1CSC2=NC=C(C(=O)N21)C(=O)NCCS

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SMILES CANONICAL

CACTVS 3.385SCCNC(=O)C1=CN=C2SCCN2C1=O
OpenEye OEToolkits 2.0.7C1CSC2=NC=C(C(=O)N21)C(=O)NCCS

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InChI

InChI 1.03InChI=1S/C9H11N3O2S2/c13-7(10-1-3-15)6-5-11-9-12(8(6)14)2-4-16-9/h5,15H,1-4H2,(H,10,13)

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InChIKey

InChI 1.03QRIGZEVZGUQHGF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7afv:
Crystal structure of tetrameric beta-2-microglobulin deltaN6 S52C stabilized by a covalent ligand

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