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7-{2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]ethyl}-8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID G4cMTesoJBq
InChI InChI=1S/C26H32N8O3S/c1-17-16-18(2)28-24(27-17)38-15-14-34-21-22(30(3)26(36)31(4)23(21)35)29-25(34)33-12-10-32(11-13-33)19-6-8-20(37-5)9-7-19/h6-9,16H,10-15H2,1-5H3
InChIKey SVBUITYHGTUERI-UHFFFAOYSA-N
Mol Weight 536.7 g/mol
Molecular Formula C26H32N8O3S
Exact Mass 536.231808 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7EKCJBmqH7v
Name 7-{2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]ethyl}-8-[4-(4-methoxyphenyl)-1-piperazinyl]-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/C26H32N8O3S/c1-17-16-18(2)28-24(27-17)38-15-14-34-21-22(30(3)26(36)31(4)23(21)35)29-25(34)33-12-10-32(11-13-33)19-6-8-20(37-5)9-7-19/h6-9,16H,10-15H2,1-5H3
InChIKey SVBUITYHGTUERI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22004
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: D58147; Labnumber: UZ01F011-4150; SBI_ID: SBI-022008
Temperature 308 °C