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8-[(2-hydroxyethyl)(methyl)amino]-7-{[3-(2-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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8-[(2-hydroxyethyl)(methyl)amino]-7-{[3-(2-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FWdkBALyyGs
InChI InChI=1S/C21H26N6O5/c1-24(9-10-28)20-22-18-17(19(29)26(3)21(30)25(18)2)27(20)12-13-11-15(23-32-13)14-7-5-6-8-16(14)31-4/h5-8,13,28H,9-12H2,1-4H3
InChIKey ZDPQSMPZLHZIPO-UHFFFAOYSA-N
Mol Weight 442.48 g/mol
Molecular Formula C21H26N6O5
Exact Mass 442.196468 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8oOsjdVM6Be
Name 8-[(2-hydroxyethyl)(methyl)amino]-7-{[3-(2-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-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/C21H26N6O5/c1-24(9-10-28)20-22-18-17(19(29)26(3)21(30)25(18)2)27(20)12-13-11-15(23-32-13)14-7-5-6-8-16(14)31-4/h5-8,13,28H,9-12H2,1-4H3
InChIKey ZDPQSMPZLHZIPO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11072
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: 801669; Labnumber: LRP-1034; VK_ID: VK-011076
Temperature 315 °C