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7-[(2E)-3-chloro-2-butenyl]-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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7-[(2E)-3-chloro-2-butenyl]-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DcNZ4s5sfed
InChI InChI=1S/C20H23ClN6O3/c1-12(21)10-11-27-16-17(25(3)20(29)26(4)18(16)28)22-19(27)24-23-13(2)14-6-8-15(30-5)9-7-14/h6-10H,11H2,1-5H3,(H,22,24)/b12-10+,23-13+
InChIKey BIIXGMLDTPXDBP-JKQBSQSDSA-N
Mol Weight 430.9 g/mol
Molecular Formula C20H23ClN6O3
Exact Mass 430.152016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1nXMpCWvMJM
Name 7-[(2E)-3-chloro-2-butenyl]-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-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/C20H23ClN6O3/c1-12(21)10-11-27-16-17(25(3)20(29)26(4)18(16)28)22-19(27)24-23-13(2)14-6-8-15(30-5)9-7-14/h6-10H,11H2,1-5H3,(H,22,24)/b12-10+,23-13+
InChIKey BIIXGMLDTPXDBP-JKQBSQSDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25219
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: D49559; Labnumber: UZROM-3928; SBI_ID: SBI-025223
Synonyms 7-[3-chloro-2-butenyl]-8-{2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Temperature 318 °C