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1-(1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4-piperidinecarboxamide

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1-(1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4-piperidinecarboxamide
SpectraBase Compound ID IVVywQpvOxS
InChI InChI=1S/C18H24N8O3S2/c1-10-21-22-17(31-10)30-9-8-26-12-14(23(2)18(29)24(3)15(12)28)20-16(26)25-6-4-11(5-7-25)13(19)27/h11H,4-9H2,1-3H3,(H2,19,27)
InChIKey MHAQUSFXPBVGHW-UHFFFAOYSA-N
Mol Weight 464.56 g/mol
Molecular Formula C18H24N8O3S2
Exact Mass 464.141279 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4tuVuXWU5Tu
Name 1-(1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4-piperidinecarboxamide
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/C18H24N8O3S2/c1-10-21-22-17(31-10)30-9-8-26-12-14(23(2)18(29)24(3)15(12)28)20-16(26)25-6-4-11(5-7-25)13(19)27/h11H,4-9H2,1-3H3,(H2,19,27)
InChIKey MHAQUSFXPBVGHW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8882
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: D38754; Labnumber: UZ01F011-2373; SBI_ID: SBI-008885
Temperature 308 °C