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1-(3-methyl-7-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl}-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4-piperidinecarboxamide
SpectraBase Compound ID 9QOvNVUpUtS
InChI InChI=1S/C18H23N7O3S2/c1-10-9-30-18(20-10)29-8-7-25-12-14(23(2)17(28)22-15(12)27)21-16(25)24-5-3-11(4-6-24)13(19)26/h9,11H,3-8H2,1-2H3,(H2,19,26)(H,22,27,28)
InChIKey JNTCLIGUCVCYCX-UHFFFAOYSA-N
Mol Weight 449.55 g/mol
Molecular Formula C18H23N7O3S2
Exact Mass 449.13038 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2JYOqa0r7m9
Name 1-(3-methyl-7-{2-[(4-methyl-1,3-thiazol-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/C18H23N7O3S2/c1-10-9-30-18(20-10)29-8-7-25-12-14(23(2)17(28)22-15(12)27)21-16(25)24-5-3-11(4-6-24)13(19)26/h9,11H,3-8H2,1-2H3,(H2,19,26)(H,22,27,28)
InChIKey JNTCLIGUCVCYCX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8424
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: D51559; Labnumber: UZ01F011-2415; SBI_ID: SBI-008427
Temperature 318 °C