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7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methyl-1-piperazinyl)amino]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 93hsjLLkKLa
InChI InChI=1S/C19H23Cl2N7O2/c1-24-6-8-27(9-7-24)23-18-22-16-15(17(29)26(3)19(30)25(16)2)28(18)11-12-4-5-13(20)14(21)10-12/h4-5,10H,6-9,11H2,1-3H3,(H,22,23)
InChIKey QAYCMIFUIJYYFP-UHFFFAOYSA-N
Mol Weight 452.35 g/mol
Molecular Formula C19H23Cl2N7O2
Exact Mass 451.129028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GsV2VgijRDc
Name 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methyl-1-piperazinyl)amino]-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/C19H23Cl2N7O2/c1-24-6-8-27(9-7-24)23-18-22-16-15(17(29)26(3)19(30)25(16)2)28(18)11-12-4-5-13(20)14(21)10-12/h4-5,10H,6-9,11H2,1-3H3,(H,22,23)
InChIKey QAYCMIFUIJYYFP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25696
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: D60577; Labnumber: LRP02-0427; SBI_ID: SBI-025700
Temperature 308 °C