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N-[1-(Furan-2-ylmethylene-hydrazinocarbonyl)-ethyl]-2-(4-methyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-ylsulfanyl)-acetamide
SpectraBase Compound ID DadQLCUgpTl
InChI InChI=1S/C20H19N7O4S/c1-12(17(29)23-21-10-13-6-5-9-31-13)22-16(28)11-32-20-25-24-19-26(2)18(30)14-7-3-4-8-15(14)27(19)20/h3-10,12H,11H2,1-2H3,(H,22,28)(H,23,29)
InChIKey RCXQXQXBKZCBRI-UHFFFAOYSA-N
Mol Weight 453.48 g/mol
Molecular Formula C20H19N7O4S
Exact Mass 453.121923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8skOVhmHw1Q
Name N-[1-(Furan-2-ylmethylene-hydrazinocarbonyl)-ethyl]-2-(4-methyl-5-oxo-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-ylsulfanyl)-acetamide
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N7O4S
InChI InChI=1S/C20H19N7O4S/c1-12(17(29)23-21-10-13-6-5-9-31-13)22-16(28)11-32-20-25-24-19-26(2)18(30)14-7-3-4-8-15(14)27(19)20/h3-10,12H,11H2,1-2H3,(H,22,28)(H,23,29)
InChIKey RCXQXQXBKZCBRI-UHFFFAOYSA-N
Instrument Name KRATOS Analytical Kompact
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.g18
Molecular Weight 453.477 g/mol
SMILES N(N=Cc1occc1)C(C(C)NC(CSc1nnc2[n]1-c1ccccc1C(N2C)=O)=O)=O
SPLASH splash10-001i-1892100000-658b42ec8c8ada685102
Source of Spectrum ARK-2007-184-11b
Wiley ID 1868999