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(5E)-1-(4-chlorophenyl)-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID pPlde7MXyt
InChI InChI=1S/C18H18ClN5O3/c1-12(21-7-2-9-23-10-8-20-11-23)15-16(25)22-18(27)24(17(15)26)14-5-3-13(19)4-6-14/h3-6,8,10-11,21H,2,7,9H2,1H3,(H,22,25,27)/b15-12+
InChIKey DIVMJJXFAFOHJB-NTCAYCPXSA-N
Mol Weight 387.83 g/mol
Molecular Formula C18H18ClN5O3
Exact Mass 387.109817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D3JDflqHlsU
Name (5E)-1-(4-chlorophenyl)-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-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/C18H18ClN5O3/c1-12(21-7-2-9-23-10-8-20-11-23)15-16(25)22-18(27)24(17(15)26)14-5-3-13(19)4-6-14/h3-6,8,10-11,21H,2,7,9H2,1H3,(H,22,25,27)/b15-12+
InChIKey DIVMJJXFAFOHJB-NTCAYCPXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13541
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: D86172; Labnumber: KKA-0212A-0474; SBI_ID: SBI-013544
Synonyms 1-(4-chlorophenyl)-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C