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CHEBI:95272 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-N-[(2-ethoxyphenyl)methylideneamino]-4-triazolecarboxamide

ChEBI IDCHEBI:95272
ChEBI Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-N-[(2-ethoxyphenyl)methylideneamino]-4-triazolecarboxamide
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FormulaC21H27N9O3
Net Charge0
Average Mass453.507
Monoisotopic Mass453.22369
SMILESCCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1
InChIInChI=1S/C21H27N9O3/c1-2-32-17-10-6-5-9-15(17)13-23-25-21(31)18-16(14-29-11-7-3-4-8-12-29)30(28-24-18)20-19(22)26-33-27-20/h5-6,9-10,13H,2-4,7-8,11-12,14H2,1H3,(H2,22,26)(H,25,31)
InChIKeyDOVIZHGISHYASN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-N-[(2-ethoxyphenyl)methylideneamino]-4-triazolecarboxamide (CHEBI:95272) is a aromatic ether (CHEBI:35618)
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