9-chloro-4-[4-(2-methoxyphenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole

SpectraBase Compound ID	Cq6PP6hwxkk
InChI	InChI=1S/C21H20ClN5O/c1-28-17-8-3-2-7-16(17)26-9-11-27(12-10-26)21-20-19(23-13-24-21)18-14(22)5-4-6-15(18)25-20/h2-8,13,25H,9-12H2,1H3
InChIKey	CPNDVMGVTVFZBJ-UHFFFAOYSA-N Google Search
Mol Weight	393.88 g/mol
Molecular Formula	C21H20ClN5O
Exact Mass	393.135638 g/mol

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SpectraBase Spectrum ID	GtXconaF0ZQ
Name	9-chloro-4-[4-(2-methoxyphenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole
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/C21H20ClN5O/c1-28-17-8-3-2-7-16(17)26-9-11-27(12-10-26)21-20-19(23-13-24-21)18-14(22)5-4-6-15(18)25-20/h2-8,13,25H,9-12H2,1H3
InChIKey	CPNDVMGVTVFZBJ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3953
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: E00027; Labnumber: SIMAK-02065; SBI_ID: SBI-003955
Synonyms	2-[4-(9-chloro-5H-pyrimido[5,4-b]indol-4-yl)-1-piperazinyl]phenyl methyl ether
Temperature	318 °C