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4-Mercapto-1H-pyrazolo-(3,4-D)pyrimidine

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4-Mercapto-1H-pyrazolo-(3,4-D)pyrimidine
SpectraBase Compound ID 9EB8Plp8Tlz
InChI InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKey PYAOPMWCFSVFOT-UHFFFAOYSA-N
Mol Weight 152.17 g/mol
Molecular Formula C5H4N4S
Exact Mass 152.015667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3coxr0uQWgF
Name 4-Mercapto-1H-pyrazolo-(3,4-D)pyrimidine
CAS Registry Number 5334-23-6
Comments STRUCTURE CORRECT ? REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H4N4S
InChI InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKey PYAOPMWCFSVFOT-UHFFFAOYSA-N
Literature Reference T.R. Krugh, J. Am. Chem. Soc. 95, 4761 (1973).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6