7-[(2Z)-3-chloro-2-butenyl]-1,3-dimethyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	HKwQ6NNg6TP
InChI	InChI=1S/C16H22ClN5O2/c1-11(17)7-10-22-12-13(19(2)16(24)20(3)14(12)23)18-15(22)21-8-5-4-6-9-21/h7H,4-6,8-10H2,1-3H3/b11-7-
InChIKey	VHYZYULJSZSTQJ-XFFZJAGNSA-N Google Search
Mol Weight	351.84 g/mol
Molecular Formula	C16H22ClN5O2
Exact Mass	351.146203 g/mol

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SpectraBase Spectrum ID	FjB89JbtfBD
Name	7-[(2Z)-3-chloro-2-butenyl]-1,3-dimethyl-8-(1-piperidinyl)-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/C16H22ClN5O2/c1-11(17)7-10-22-12-13(19(2)16(24)20(3)14(12)23)18-15(22)21-8-5-4-6-9-21/h7H,4-6,8-10H2,1-3H3/b11-7-
InChIKey	VHYZYULJSZSTQJ-XFFZJAGNSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_22691
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: D35349; Labnumber: UZROM-3773; SBI_ID: SBI-022695
Synonyms	7-[3-chloro-2-butenyl]-1,3-dimethyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
Temperature	306 °C