N-(4,6-dimethyl-2-pyrimidinyl)-N'-(3-nitrophenyl)-N''-[(E)-oxo(10H-phenothiazin-10-yl)methyl]guanidine

SpectraBase Compound ID	6LL64RC8CbZ
InChI	InChI=1S/C26H21N7O3S/c1-16-14-17(2)28-24(27-16)30-25(29-18-8-7-9-19(15-18)33(35)36)31-26(34)32-20-10-3-5-12-22(20)37-23-13-6-4-11-21(23)32/h3-15H,1-2H3,(H2,27,28,29,30,31,34)
InChIKey	SQOLEEWNZSMGAF-UHFFFAOYSA-N Google Search
Mol Weight	511.56 g/mol
Molecular Formula	C26H21N7O3S
Exact Mass	511.142659 g/mol

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SpectraBase Spectrum ID	2T79Uc98Il4
Name	N-(4,6-dimethyl-2-pyrimidinyl)-N'-(3-nitrophenyl)-N''-[(Z)-oxo(10H-phenothiazin-10-yl)methyl]guanidine
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/C26H21N7O3S/c1-16-14-17(2)28-24(27-16)30-25(29-18-8-7-9-19(15-18)33(35)36)31-26(34)32-20-10-3-5-12-22(20)37-23-13-6-4-11-21(23)32/h3-15H,1-2H3,(H2,27,28,29,30,31,34)
InChIKey	SQOLEEWNZSMGAF-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5586
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: 121636; Labnumber: VGU-14359; VK_ID: VK-005589
Synonyms	N-(4,6-dimethyl-2-pyrimidinyl)-N'-(3-nitrophenyl)-N''-[oxo(10H-phenothiazin-10-yl)methyl]guanidine
Temperature	318 °C