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3-methyl-7-[2-methyl-3-(2-pyrimidinylsulfanyl)propyl]-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID IWWwNjuAr2I
InChI InChI=1S/C19H25N7O2S/c1-13(12-29-17-20-7-6-8-21-17)11-26-14-15(24(2)19(28)23-16(14)27)22-18(26)25-9-4-3-5-10-25/h6-8,13H,3-5,9-12H2,1-2H3,(H,23,27,28)
InChIKey MWRPIGHBHQEMCA-UHFFFAOYSA-N
Mol Weight 415.52 g/mol
Molecular Formula C19H25N7O2S
Exact Mass 415.179044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BWzFpTIpUkS
Name 3-methyl-7-[2-methyl-3-(2-pyrimidinylsulfanyl)propyl]-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/C19H25N7O2S/c1-13(12-29-17-20-7-6-8-21-17)11-26-14-15(24(2)19(28)23-16(14)27)22-18(26)25-9-4-3-5-10-25/h6-8,13H,3-5,9-12H2,1-2H3,(H,23,27,28)
InChIKey MWRPIGHBHQEMCA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22031
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: D58178; Labnumber: UZ01F011-4195; SBI_ID: SBI-022035
Temperature 318 °C