2-(2-methoxy-5-{(E)-[(7-methoxy-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	GjRpYeif9j2
InChI	InChI=1S/C28H21N5O5/c1-37-18-8-9-21-22(12-18)31-25-24(21)29-15-33(28(25)36)30-13-16-7-10-23(38-2)17(11-16)14-32-26(34)19-5-3-4-6-20(19)27(32)35/h3-13,15,31H,14H2,1-2H3/b30-13+
InChIKey	GWTMGPJWIDCJCT-VVEOGCPPSA-N Google Search
Mol Weight	507.51 g/mol
Molecular Formula	C28H21N5O5
Exact Mass	507.154269 g/mol

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SpectraBase Spectrum ID	7AAYnAss7Cq
Name	2-(2-methoxy-5-{(E)-[(7-methoxy-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/C28H21N5O5/c1-37-18-8-9-21-22(12-18)31-25-24(21)29-15-33(28(25)36)30-13-16-7-10-23(38-2)17(11-16)14-32-26(34)19-5-3-4-6-20(19)27(32)35/h3-13,15,31H,14H2,1-2H3/b30-13+
InChIKey	GWTMGPJWIDCJCT-VVEOGCPPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_18236
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: D32098; Labnumber: SIMAK02-00071; SBI_ID: SBI-018239
Synonyms	2-(2-methoxy-5-{[(7-methoxy-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