N-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tryptophan

SpectraBase Compound ID	Hq3E1Fd7goB
InChI	InChI=1S/C17H16N4O4S/c1-21-15(23)11(14(22)20-17(21)26)8-19-13(16(24)25)6-9-7-18-12-5-3-2-4-10(9)12/h2-5,7-8,13,18-19H,6H2,1H3,(H,24,25)(H,20,22,26)/b11-8+
InChIKey	QCMQWCNUTWQPTG-DHZHZOJOSA-N Google Search
Mol Weight	372.4 g/mol
Molecular Formula	C17H16N4O4S
Exact Mass	372.089226 g/mol

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SpectraBase Spectrum ID	IdHmSdgs6S6
Name	N-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tryptophan
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C17H16N4O4S/c1-21-15(23)11(14(22)20-17(21)26)8-19-13(16(24)25)6-9-7-18-12-5-3-2-4-10(9)12/h2-5,7-8,13,18-19H,6H2,1H3,(H,24,25)(H,20,22,26)/b11-8+
InChIKey	QCMQWCNUTWQPTG-DHZHZOJOSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_8993
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: D40152; Labnumber: KKA-0211-2229; SBI_ID: SBI-008996
Synonyms	N-[(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tryptophan
Temperature	306 °C