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- ChemComp-EM6: 6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-c... -

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Basic information

EntryDatabase: PDB chemical components / ID: EM6
NameName: 6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

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Chemical information

Composition
Formula: C10H10N4O / Number of atoms: 25 / Formula weight: 202.213 / Formal charge: 0
Others

5fjk

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EM6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FJK
History
Create componentOct 10, 2015
Initial releaseOct 21, 2015
External linksUniChem / ChemSpider / 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 3.385CCC1=C(C)N=C2N(NC=C2C#N)C1=O
OpenEye OEToolkits 1.7.6CCC1=C(N=C2C(=CNN2C1=O)C#N)C

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SMILES CANONICAL

CACTVS 3.385CCC1=C(C)N=C2N(NC=C2C#N)C1=O
OpenEye OEToolkits 1.7.6CCC1=C(N=C2C(=CNN2C1=O)C#N)C

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InChI

InChI 1.03InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,12H,3H2,1-2H3

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InChIKey

InChI 1.03PJIRQIUNBLUWJK-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.66-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

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PDB entries

Showing all 1 items

PDB-5fjk:
Crystal structure of human JMJD2C catalytic domain in complex 6-ethyl- 5-methyl-7-oxo-4,7-dihydropyrazolo(1,5-a)pyrimidine-3-carbonitrile

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