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8-(4-benzyl-1-piperazinyl)-3-methyl-7-[3-(2-pyrimidinylsulfanyl)propyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID A8rfV6YfKsO
InChI InChI=1S/C24H28N8O2S/c1-29-20-19(21(33)28-24(29)34)32(11-6-16-35-22-25-9-5-10-26-22)23(27-20)31-14-12-30(13-15-31)17-18-7-3-2-4-8-18/h2-5,7-10H,6,11-17H2,1H3,(H,28,33,34)
InChIKey CTTYLIXHSOOEJS-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C24H28N8O2S
Exact Mass 492.205593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HrV2VtYdIuD
Name 8-(4-benzyl-1-piperazinyl)-3-methyl-7-[3-(2-pyrimidinylsulfanyl)propyl]-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/C24H28N8O2S/c1-29-20-19(21(33)28-24(29)34)32(11-6-16-35-22-25-9-5-10-26-22)23(27-20)31-14-12-30(13-15-31)17-18-7-3-2-4-8-18/h2-5,7-10H,6,11-17H2,1H3,(H,28,33,34)
InChIKey CTTYLIXHSOOEJS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21976
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: D58117; Labnumber: UZ01F011-4115; SBI_ID: SBI-021980
Temperature 308 °C