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Ethyl 4-amino-2-([(1E)-3-(4-fluorophenyl)-3-oxo-1-propenyl]sulfanyl)-5-pyrimidinecarboxylate
SpectraBase Compound ID 3yJ6hqjuYzm
InChI InChI=1S/C16H14FN3O3S/c1-2-23-15(22)12-9-19-16(20-14(12)18)24-8-7-13(21)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H2,18,19,20)/b8-7+
InChIKey KEHFJAJVWGTKSO-BQYQJAHWSA-N
Mol Weight 347.36 g/mol
Molecular Formula C16H14FN3O3S
Exact Mass 347.073991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2kSXs9jGeQ
Name Ethyl 4-amino-2-([(1E)-3-(4-fluorophenyl)-3-oxo-1-propenyl]sulfanyl)-5-pyrimidinecarboxylate
CAS Registry Number 275802-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14FN3O3S
InChI InChI=1S/C16H14FN3O3S/c1-2-23-15(22)12-9-19-16(20-14(12)18)24-8-7-13(21)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H2,18,19,20)/b8-7+
InChIKey KEHFJAJVWGTKSO-BQYQJAHWSA-N
Molecular Weight 347.364 g/mol
SMILES Nc1nc(ncc1C(=O)OCC)S\C=C\C(c1ccc(cc1)F)=O
SPLASH splash10-00dj-5970000000-3a0617b0e8650623dc41
Source of Spectrum AD-0-2532-0
Synonyms 4-Amino-2-[[(E)-3-(4-fluorophenyl)-3-keto-prop-1-enyl]thio]pyrimidine-5-carboxylic acid ethyl ester 4-Amino-2-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]thio]-5-pyrimidinecarboxylic acid ethyl ester Ethyl 4-amino-2-[(E)-3-(4-fluorophenyl)-3-oxo-prop-1-enyl]sulfanyl-pyrimidine-5-carboxylate Ethyl 4-amino-2-{[3-(4-fluorophenyl)-3-oxo-1-propenyl]sulfanyl}-5-pyrimidinecarboxylate Ethyl 4-azanyl-2-[(E)-3-(4-fluorophenyl)-3-oxidanylidene-prop-1-enyl]sulfanyl-pyrimidine-5-carboxylate Pyrimidine-5-carboxylic acid, 4-amino-2-[3-(4-fluorophenyl)-3-oxo-1-propenylthio]-, ethyl ester
Wiley ID 1426095