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2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(4-bromophenyl)-5-[[[3-(1-piperidinyl)propyl]amino]methylidene]-
SpectraBase Compound ID 6BgoxzoJ6Rp
InChI InChI=1S/C19H23BrN4O3/c20-14-5-7-15(8-6-14)24-18(26)16(17(25)22-19(24)27)13-21-9-4-12-23-10-2-1-3-11-23/h5-8,13,21H,1-4,9-12H2,(H,22,25,27)/b16-13+
InChIKey ZBHLDVFBICFJMI-DTQAZKPQSA-N
Mol Weight 435.32 g/mol
Molecular Formula C19H23BrN4O3
Exact Mass 434.095354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29Z0uYnopoy
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(4-bromophenyl)-5-[[[3-(1-piperidinyl)propyl]amino]methylidene]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23BrN4O3
InChI InChI=1S/C19H23BrN4O3/c20-14-5-7-15(8-6-14)24-18(26)16(17(25)22-19(24)27)13-21-9-4-12-23-10-2-1-3-11-23/h5-8,13,21H,1-4,9-12H2,(H,22,25,27)/b16-13+
InChIKey ZBHLDVFBICFJMI-DTQAZKPQSA-N
Molecular Weight 435.322 g/mol
SMILES N(\C=C\1C(N(C(NC1=O)=O)c1ccc(cc1)Br)=O)CCCN1CCCCC1
SPLASH splash10-0002-9100000000-4b2177d2e3acc679dd32
Source of Spectrum IY-1-4550-0
Synonyms (5E)-1-(4-bromophenyl)-4,6-dioxo-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-pyrimidinolate (5E)-1-(4-bromophenyl)-4,6-dioxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]pyrimidin-2-olate (5E)-1-(4-bromophenyl)-4,6-dioxo-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]pyrimidin-2-olate (5E)-1-(4-bromophenyl)-4,6-bis(oxidanylidene)-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]pyrimidin-2-olate
Wiley ID 1653483