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- ChemComp-Q0W: 4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile -

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Basic information

EntryDatabase: PDB chemical components / ID: Q0W
NameName: 4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile

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Chemical information

Composition
Formula: C10H10N6 / Number of atoms: 26 / Formula weight: 214.227 / Formal charge: 0
Others

6yy6

Type: non-polymer / PDB classification: HETAIN / Three letter code: Q0W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YY6
History
Create componentMay 4, 2020
Initial releaseMay 12, 2021
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 3.385CCn1cc(cn1)c2ncnc(N)c2C#N
OpenEye OEToolkits 2.0.7CCn1cc(cn1)c2c(c(ncn2)N)C#N

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SMILES CANONICAL

CACTVS 3.385CCn1cc(cn1)c2ncnc(N)c2C#N
OpenEye OEToolkits 2.0.7CCn1cc(cn1)c2c(c(ncn2)N)C#N

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InChI

InChI 1.03InChI=1S/C10H10N6/c1-2-16-5-7(4-15-16)9-8(3-11)10(12)14-6-13-9/h4-6H,2H2,1H3,(H2,12,13,14)

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InChIKey

InChI 1.03UXGKYAIKFHQQGH-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6yy6:
Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor

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