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1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FmD5Gg4aJo6
InChI InChI=1S/C17H23N7O2S2/c1-11-19-20-16(28-11)27-10-9-24-12-13(21(2)17(26)22(3)14(12)25)18-15(24)23-7-5-4-6-8-23/h4-10H2,1-3H3
InChIKey CVYXCJWVJRVRIV-UHFFFAOYSA-N
Mol Weight 421.54 g/mol
Molecular Formula C17H23N7O2S2
Exact Mass 421.135465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ZYvR1ggJ0x
Name 1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H23N7O2S2/c1-11-19-20-16(28-11)27-10-9-24-12-13(21(2)17(26)22(3)14(12)25)18-15(24)23-7-5-4-6-8-23/h4-10H2,1-3H3
InChIKey CVYXCJWVJRVRIV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22061
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D58212; Labnumber: UZ01F011-4257; SBI_ID: SBI-022065
Temperature 318 °C