7-[(2E)-3-chloro-2-butenyl]-1,3-dimethyl-8-{(2E)-2-[(2E)-1-methyl-3-phenyl-2-propenylidene]hydrazino}-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	1RwPF0vW8qx
InChI	InChI=1S/C21H23ClN6O2/c1-14(22)12-13-28-17-18(26(3)21(30)27(4)19(17)29)23-20(28)25-24-15(2)10-11-16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,23,25)/b11-10+,14-12+,24-15+
InChIKey	QKQODNAFNJYPOP-CZBNATBTSA-N Google Search
Mol Weight	426.91 g/mol
Molecular Formula	C21H23ClN6O2
Exact Mass	426.157102 g/mol

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SpectraBase Spectrum ID	BLrYtf1dRa5
Name	7-[(2E)-3-chloro-2-butenyl]-1,3-dimethyl-8-{(2E)-2-[(2E)-1-methyl-3-phenyl-2-propenylidene]hydrazino}-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/C21H23ClN6O2/c1-14(22)12-13-28-17-18(26(3)21(30)27(4)19(17)29)23-20(28)25-24-15(2)10-11-16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,23,25)/b11-10+,14-12+,24-15+
InChIKey	QKQODNAFNJYPOP-CZBNATBTSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25218
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: D49557; Labnumber: UZROM-3926; SBI_ID: SBI-025222
Synonyms	7-[3-chloro-2-butenyl]-1,3-dimethyl-8-{2-[1-methyl-3-phenyl-2-propenylidene]hydrazino}-3,7-dihydro-1H-purine-2,6-dione
Temperature	300 °C