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- ChemComp-BWT: [[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium -

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Basic information

EntryDatabase: PDB chemical components / ID: BWT
NameName: [[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium

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Chemical information

Composition
Formula: C8H9N6O / Number of atoms: 24 / Formula weight: 205.197 / Formal charge: 1
Others

6etg

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BWT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ETG
History
Create componentOct 27, 2017
Other modificationNov 8, 2017
Initial releaseFeb 20, 2019
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 3.385[NH3+]NC(=O)c1ccc(cc1)c2n[nH]nn2
OpenEye OEToolkits 2.0.6c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+]

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SMILES CANONICAL

CACTVS 3.385[NH3+]NC(=O)c1ccc(cc1)c2n[nH]nn2
OpenEye OEToolkits 2.0.6c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+]

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InChI

InChI 1.03InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1

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InChIKey

InChI 1.03CCKNKILAFRZWPA-UHFFFAOYSA-O

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium

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PDB entries

Showing all 1 items

PDB-6etg:
Crystal structure of KDM4D with tetrazolhydrazide compound 6

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