7-[(2E)-3-chloro-2-butenyl]-1,3-dimethyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	I0qgFrP6vYJ
InChI	InChI=1S/C19H22ClN5O2/c1-12-5-7-14(8-6-12)11-21-18-22-16-15(25(18)10-9-13(2)20)17(26)24(4)19(27)23(16)3/h5-9H,10-11H2,1-4H3,(H,21,22)/b13-9+
InChIKey	SFUACKMNWNWODX-UKTHLTGXSA-N Google Search
Mol Weight	387.87 g/mol
Molecular Formula	C19H22ClN5O2
Exact Mass	387.146203 g/mol

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SpectraBase Spectrum ID	JLQt2UN79Jt
Name	7-[(2E)-3-chloro-2-butenyl]-1,3-dimethyl-8-[(4-methylbenzyl)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/C19H22ClN5O2/c1-12-5-7-14(8-6-12)11-21-18-22-16-15(25(18)10-9-13(2)20)17(26)24(4)19(27)23(16)3/h5-9H,10-11H2,1-4H3,(H,21,22)/b13-9+
InChIKey	SFUACKMNWNWODX-UKTHLTGXSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25062
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: D49481; Labnumber: UZROM-3818; SBI_ID: SBI-025066
Synonyms	7-[3-chloro-2-butenyl]-1,3-dimethyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Temperature	308 °C