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8-[4-(3-chlorophenyl)-1-piperazinyl]-1,3-dimethyl-7-[2-(2-pyrimidinylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Li8LEkeWfPd
InChI InChI=1S/C23H25ClN8O2S/c1-28-19-18(20(33)29(2)23(28)34)32(13-14-35-21-25-7-4-8-26-21)22(27-19)31-11-9-30(10-12-31)17-6-3-5-16(24)15-17/h3-8,15H,9-14H2,1-2H3
InChIKey SZEKSGNHWXUZIG-UHFFFAOYSA-N
Mol Weight 513.02 g/mol
Molecular Formula C23H25ClN8O2S
Exact Mass 512.150971 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GLSrSiVv7Hz
Name 8-[4-(3-chlorophenyl)-1-piperazinyl]-1,3-dimethyl-7-[2-(2-pyrimidinylsulfanyl)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/C23H25ClN8O2S/c1-28-19-18(20(33)29(2)23(28)34)32(13-14-35-21-25-7-4-8-26-21)22(27-19)31-11-9-30(10-12-31)17-6-3-5-16(24)15-17/h3-8,15H,9-14H2,1-2H3
InChIKey SZEKSGNHWXUZIG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22011
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: D58154; Labnumber: UZ01F011-4159; SBI_ID: SBI-022015
Temperature 308 °C