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4-(3,5-dimethyl-1-pyrazolyl)-2-(pyridin-4-ylmethylthio)-1H-imidazo[4,5-d]pyridazine
SpectraBase Compound ID I7VpwCmXiMl
InChI InChI=1S/C16H15N7S/c1-10-7-11(2)23(22-10)15-14-13(8-18-21-15)19-16(20-14)24-9-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,19,20)
InChIKey JTLQXEQIUKXRDN-UHFFFAOYSA-N
Mol Weight 337.41 g/mol
Molecular Formula C16H15N7S
Exact Mass 337.110965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMe0thzyGEw
Name 4-(3,5-dimethyl-1-pyrazolyl)-2-(pyridin-4-ylmethylthio)-1H-imidazo[4,5-d]pyridazine
Alternate Name(s) 4-(3,5-dimethylpyrazol-1-yl)-2-(4-pyridylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine 4-(3,5-dimethylpyrazol-1-yl)-2-(4-pyridylmethylthio)-1H-imidazo[4,5-d]pyridazine 4-(3,5-dimethylpyrazol-1-yl)-2-(pyridin-4-ylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine
CAS Registry Number 85733-00-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N7S
InChI InChI=1S/C16H15N7S/c1-10-7-11(2)23(22-10)15-14-13(8-18-21-15)19-16(20-14)24-9-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,19,20)
InChIKey JTLQXEQIUKXRDN-UHFFFAOYSA-N
Molecular Weight 337.405 g/mol
SMILES [nH]1c(nc2c1cnnc2-[n]1nc(C)cc1C)SCc1ccncc1
SPLASH splash10-000j-0049000000-daf0e76f65204c227435
Source of Spectrum Y-20-197-0
Wiley ID 1332973