(5E)-1-(2-chlorophenyl)-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	HcbPuQoTyHX
InChI	InChI=1S/C19H17ClN8O5/c1-25-12-13(26(2)19(33)27(3)16(12)31)22-17(25)24-21-8-9-14(29)23-18(32)28(15(9)30)11-7-5-4-6-10(11)20/h4-8,21H,1-3H3,(H,22,24)(H,23,29,32)/b9-8+
InChIKey	GRWJUOSYCAZCOJ-CMDGGOBGSA-N Google Search
Mol Weight	472.85 g/mol
Molecular Formula	C19H17ClN8O5
Exact Mass	472.101043 g/mol

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SpectraBase Spectrum ID	3eP8yL1ugHO
Name	(5E)-1-(2-chlorophenyl)-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C19H17ClN8O5/c1-25-12-13(26(2)19(33)27(3)16(12)31)22-17(25)24-21-8-9-14(29)23-18(32)28(15(9)30)11-7-5-4-6-10(11)20/h4-8,21H,1-3H3,(H,22,24)(H,23,29,32)/b9-8+
InChIKey	GRWJUOSYCAZCOJ-CMDGGOBGSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_8973
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: D40112; Labnumber: KKA-0211-1419; SBI_ID: SBI-008976
Synonyms	1-(2-chlorophenyl)-5-{[2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	306 °C