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(6Z)-5-azanylidene-6-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 5ija0zREgwl
InChI InChI=1S/C16H15BrN4O2S/c1-3-4-13-20-21-14(18)11(15(22)19-16(21)24-13)8-9-7-10(17)5-6-12(9)23-2/h5-8,18H,3-4H2,1-2H3/b11-8-,18-14?
InChIKey BJIMTVCDLQDYIB-GXGXXEIJSA-N
Mol Weight 407.29 g/mol
Molecular Formula C16H15BrN4O2S
Exact Mass 406.00991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMo1SHj3AlY
Name (6Z)-5-azanylidene-6-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15BrN4O2S
InChI InChI=1S/C16H15BrN4O2S/c1-3-4-13-20-21-14(18)11(15(22)19-16(21)24-13)8-9-7-10(17)5-6-12(9)23-2/h5-8,18H,3-4H2,1-2H3/b11-8-,18-14?
InChIKey BJIMTVCDLQDYIB-GXGXXEIJSA-N
Molecular Weight 407.286 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(CCC)S2)=C\c1c(ccc(c1)Br)OC
SPLASH splash10-074r-2972100000-ed6861c35a4435479ac2
Synonyms (6Z)-6-(5-bromo-2-methoxy-benzylidene)-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-(5-bromo-2-methoxybenzylidene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(5-bromo-2-methoxy-phenyl)methylene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(5-bromo-2-methoxyphenyl)methylidene]-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one 6-(5-Bromo-2-methoxybenzylidene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453591