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8-(4-benzyl-1-piperidinyl)-7-{2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CQg1ZEBGp55
InChI InChI=1S/C27H33N7O2S/c1-18-16-19(2)29-25(28-18)37-15-14-34-22-23(31(3)27(36)32(4)24(22)35)30-26(34)33-12-10-21(11-13-33)17-20-8-6-5-7-9-20/h5-9,16,21H,10-15,17H2,1-4H3
InChIKey DNUIFSGXYYJCSB-UHFFFAOYSA-N
Mol Weight 519.7 g/mol
Molecular Formula C27H33N7O2S
Exact Mass 519.241645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1t4eKNDhtKB
Name 8-(4-benzyl-1-piperidinyl)-7-{2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]ethyl}-1,3-dimethyl-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/C27H33N7O2S/c1-18-16-19(2)29-25(28-18)37-15-14-34-22-23(31(3)27(36)32(4)24(22)35)30-26(34)33-12-10-21(11-13-33)17-20-8-6-5-7-9-20/h5-9,16,21H,10-15,17H2,1-4H3
InChIKey DNUIFSGXYYJCSB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26818
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: D67345; Labnumber: UZ01F011-4125; SBI_ID: SBI-026822
Temperature 308 °C