2-(2-methoxy-5-{(E)-[(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}benzyl)-1H-isoindole-1,3(2H)-dione

SpectraBase Compound ID	GpGvxvNTk9P
InChI	InChI=1S/C27H19N5O4/c1-36-22-11-10-16(12-17(22)14-31-25(33)18-6-2-3-7-19(18)26(31)34)13-29-32-15-28-23-20-8-4-5-9-21(20)30-24(23)27(32)35/h2-13,15,30H,14H2,1H3/b29-13+
InChIKey	POSRVKCGIJYYKK-VFLNYLIXSA-N Google Search
Mol Weight	477.48 g/mol
Molecular Formula	C27H19N5O4
Exact Mass	477.143704 g/mol

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SpectraBase Spectrum ID	6IxktLjEg8D
Name	2-(2-methoxy-5-{(E)-[(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}benzyl)-1H-isoindole-1,3(2H)-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/C27H19N5O4/c1-36-22-11-10-16(12-17(22)14-31-25(33)18-6-2-3-7-19(18)26(31)34)13-29-32-15-28-23-20-8-4-5-9-21(20)30-24(23)27(32)35/h2-13,15,30H,14H2,1H3/b29-13+
InChIKey	POSRVKCGIJYYKK-VFLNYLIXSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_13439
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: 102014; Labnumber: PRBS13-15222; VK_ID: VK-013444
Synonyms	2-(2-methoxy-5-{[(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}benzyl)-1H-isoindole-1,3(2H)-dione
Temperature	308 °C