4-[4-(3-chlorophenyl)-1-piperazinyl]-7-methoxy-5H-pyrimido[5,4-b]indole

SpectraBase Compound ID	3MDkoGq3owK
InChI	InChI=1S/C21H20ClN5O/c1-28-16-5-6-17-18(12-16)25-20-19(17)23-13-24-21(20)27-9-7-26(8-10-27)15-4-2-3-14(22)11-15/h2-6,11-13,25H,7-10H2,1H3
InChIKey	CZQAFAGDZSLWEK-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	xjmPIAPCmJ
Name	4-[4-(3-chlorophenyl)-1-piperazinyl]-7-methoxy-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/c1-28-16-5-6-17-18(12-16)25-20-19(17)23-13-24-21(20)27-9-7-26(8-10-27)15-4-2-3-14(22)11-15/h2-6,11-13,25H,7-10H2,1H3
InChIKey	CZQAFAGDZSLWEK-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_19427
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: D13704; Labnumber: SIMAK-01222; SBI_ID: SBI-019430
Synonyms	4-[4-(3-chlorophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indol-7-yl methyl ether
Temperature	318 °C