(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-cycloheptyl-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	FbPemeFzISm
InChI	InChI=1S/C20H23N3O5/c24-18-15(11-21-10-13-7-8-16-17(9-13)28-12-27-16)19(25)23(20(26)22-18)14-5-3-1-2-4-6-14/h7-9,11,14,21H,1-6,10,12H2,(H,22,24,26)/b15-11+
InChIKey	PWQNVORBONIXHC-RVDMUPIBSA-N Google Search
Mol Weight	385.42 g/mol
Molecular Formula	C20H23N3O5
Exact Mass	385.163771 g/mol

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SpectraBase Spectrum ID	15lCQ2EQSOc
Name	(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-cycloheptyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C20H23N3O5/c24-18-15(11-21-10-13-7-8-16-17(9-13)28-12-27-16)19(25)23(20(26)22-18)14-5-3-1-2-4-6-14/h7-9,11,14,21H,1-6,10,12H2,(H,22,24,26)/b15-11+
InChIKey	PWQNVORBONIXHC-RVDMUPIBSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29096
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: D90927; Labnumber: KKA-0211-3699; SBI_ID: SBI-029100
Synonyms	5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-cycloheptyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	318 °C