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- ChemComp-V8Q: 6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one -

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Basic information

EntryDatabase: PDB chemical components / ID: V8Q
NameName: 6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
Synonyms: 6-Methyl-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one; 1383425

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Chemical information

Composition
Formula: C4H5N3OS / Number of atoms: 14 / Formula weight: 143.167 / Formal charge: 0
Others

7odb

Type: non-polymer / PDB classification: HETAIN / Three letter code: V8Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ODB
History
Create componentApr 30, 2021
Initial releaseJun 1, 2022
External linksUniChem / ChemSpider / CompTox / PubChem / 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 3.385CC1=NNC(=O)NC1=S
OpenEye OEToolkits 2.0.7CC1=NNC(=O)NC1=S

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SMILES CANONICAL

CACTVS 3.385CC1=NNC(=O)NC1=S
OpenEye OEToolkits 2.0.7CC1=NNC(=O)NC1=S

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InChI

InChI 1.03InChI=1S/C4H5N3OS/c1-2-3(9)5-4(8)7-6-2/h1H3,(H2,5,7,8,9)

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InChIKey

InChI 1.03FGZQRZAHVJVJGF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7odb:
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with triazine-derivative

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