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1-(5'-Methylimidazol-4'-yl)-2-methyl-5-(benzoylimino)-4,6-diaza-8-[(2"-pyridylmethyl)thio]octane
SpectraBase Compound ID GA6DcHf2PK4
InChI InChI=1S/C24H30N6OS/c1-18(14-22-19(2)28-17-29-22)15-27-24(30-23(31)20-8-4-3-5-9-20)26-12-13-32-16-21-10-6-7-11-25-21/h3-11,17-18H,12-16H2,1-2H3,(H,28,29)(H2,26,27,30,31)
InChIKey QWZXGOJSJMRLNA-UHFFFAOYSA-N
Mol Weight 450.61 g/mol
Molecular Formula C24H30N6OS
Exact Mass 450.220181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAmZa9qgqRn
Name 1-(5'-Methylimidazol-4'-yl)-2-methyl-5-(benzoylimino)-4,6-diaza-8-[(2"-pyridylmethyl)thio]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N6OS
InChI InChI=1S/C24H30N6OS/c1-18(14-22-19(2)28-17-29-22)15-27-24(30-23(31)20-8-4-3-5-9-20)26-12-13-32-16-21-10-6-7-11-25-21/h3-11,17-18H,12-16H2,1-2H3,(H,28,29)(H2,26,27,30,31)
InChIKey QWZXGOJSJMRLNA-UHFFFAOYSA-N
Molecular Weight 450.605 g/mol
SMILES N(\C(=N/C(=O)c1ccccc1)NCCSCc1ncccc1)CC(Cc1c([nH]cn1)C)C
SPLASH splash10-0a4l-7920000000-16449dfd9d76b94d175b
Source of Spectrum D8-325-473-8
Wiley ID 1514437