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Ethyl 2-[(4'-bromophenacyl)thio]-4(1H)-imino-5-pyrimidinecarboxylate
SpectraBase Compound ID 39w70UN1kOg
InChI InChI=1S/C15H14BrN3O3S/c1-2-22-14(21)11-7-18-15(19-13(11)17)23-8-12(20)9-3-5-10(16)6-4-9/h3-7H,2,8H2,1H3,(H2,17,18,19)
InChIKey QQKHOEDWSRZGOV-UHFFFAOYSA-N
Mol Weight 396.26 g/mol
Molecular Formula C15H14BrN3O3S
Exact Mass 394.993925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HMF8b153g
Name Ethyl 2-[(4'-bromophenacyl)thio]-4(1H)-imino-5-pyrimidinecarboxylate
CAS Registry Number 218929-33-0
Comments Structure changed after expert review
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Formula C15H14BrN3O3S
InChI InChI=1S/C15H14BrN3O3S/c1-2-22-14(21)11-7-18-15(19-13(11)17)23-8-12(20)9-3-5-10(16)6-4-9/h3-7H,2,8H2,1H3,(H2,17,18,19)
InChIKey QQKHOEDWSRZGOV-UHFFFAOYSA-N
Molecular Weight 396.259 g/mol
SMILES N1C=C(C(N=C1SCC(c1ccc(cc1)Br)=O)=N)C(OCC)=O
SPLASH splash10-01qi-8921000000-5b2f6b9d006d1dc7c13f
Synonyms Ethyl 2-([2-(4-bromophenyl)-2-oxoethyl]sulfanyl)-4-imino-1,4-dihydro-5-pyrimidinecarboxylate Ethyl 4-amino-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Ethyl 4-amino-2-{[2-(4-bromophenyl)-2-oxoethyl]thio}pyrimidine-5-carboxylate 4-Amino-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester Ethyl 4-amino-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate Ethyl 4-azanyl-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate 4-Amino-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester
Wiley ID 1467760