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5-(3,5-Diamino-2-pyrazinyl)-1-methyl-4-(2-furanyl-methyl)-1,2,4-triazol-3-thiol

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5-(3,5-Diamino-2-pyrazinyl)-1-methyl-4-(2-furanyl-methyl)-1,2,4-triazol-3-thiol
SpectraBase Compound ID KbPp533goeI
InChI InChI=1S/C12H13N7OS/c1-18-11(9-10(14)16-8(13)5-15-9)19(12(21)17-18)6-7-3-2-4-20-7/h2-5H,6H2,1H3,(H4,13,14,16,17,21)
InChIKey KFZPOIIUYSGESR-UHFFFAOYSA-N
Mol Weight 303.34 g/mol
Molecular Formula C12H13N7OS
Exact Mass 303.090229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sZiyiyGZ9Q
Name 5-(3,5-Diamino-2-pyrazinyl)-1-methyl-4-(2-furanyl-methyl)-1,2,4-triazol-3-thiol
CAS Registry Number 79998-11-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13N7OS
InChI InChI=1S/C12H13N7OS/c1-18-11(9-10(14)16-8(13)5-15-9)19(12(21)17-18)6-7-3-2-4-20-7/h2-5H,6H2,1H3,(H4,13,14,16,17,21)
InChIKey KFZPOIIUYSGESR-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference G.M. Shutske, M.N. Agnew, J. Heterocycl. Chem. 18, 1025 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6