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8-[benzyl(methyl)amino]-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID S47vAKwlfZ
InChI InChI=1S/C19H21N7O2S2/c1-12-22-23-19(30-12)29-10-9-26-14-15(25(3)18(28)21-16(14)27)20-17(26)24(2)11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,21,27,28)
InChIKey JLHNQVAJADDLJN-UHFFFAOYSA-N
Mol Weight 443.54 g/mol
Molecular Formula C19H21N7O2S2
Exact Mass 443.119815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8SJm8u6bCgo
Name 8-[benzyl(methyl)amino]-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-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/C19H21N7O2S2/c1-12-22-23-19(30-12)29-10-9-26-14-15(25(3)18(28)21-16(14)27)20-17(26)24(2)11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,21,27,28)
InChIKey JLHNQVAJADDLJN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22057
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: D58208; Labnumber: UZ01F011-4253; SBI_ID: SBI-022061
Temperature 318 °C