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4(1H)-Pyrimidinone, 5-bromo-2-[[3-(2-naphthalenyloxy)propyl]thio]-
SpectraBase Compound ID 9sxd0vlKXRG
InChI InChI=1S/C17H15BrN2O2S/c18-15-11-19-17(20-16(15)21)23-9-3-8-22-14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11H,3,8-9H2,(H,19,20,21)
InChIKey FQTMCIYWPXURLD-UHFFFAOYSA-N
Mol Weight 391.28 g/mol
Molecular Formula C17H15BrN2O2S
Exact Mass 390.003762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiWhQVVi2GM
Name 4(1H)-Pyrimidinone, 5-bromo-2-[[3-(2-naphthalenyloxy)propyl]thio]-
Alternate Name(s) 2-[3-(2-naphthoxy)propylthio]-5-bromo-4(1H)pyrimidinone 5-Bromo-2-S-(2-naphthoxytrimethylene)thiouracil 5-Bromo-2-{[3-(2-naphthyloxy)propyl]sulfanyl}-4(1H)-pyrimidinone
CAS Registry Number 118365-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15BrN2O2S
InChI InChI=1S/C17H15BrN2O2S/c18-15-11-19-17(20-16(15)21)23-9-3-8-22-14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11H,3,8-9H2,(H,19,20,21)
InChIKey FQTMCIYWPXURLD-UHFFFAOYSA-N
Molecular Weight 391.283 g/mol
SMILES N1C=C(C(N=C1SCCCOc1cc2ccccc2cc1)=O)Br
SPLASH splash10-0005-0981000000-01b0eed22ed10a8ab2e8
Source of Spectrum O-23-484-13
Wiley ID 1364584