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Ethyl 7-(4-methoxyphenyl)-2-methylthio-5-chloromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 5Q3nqVhhNil
InChI InChI=1S/C17H19ClN4O3S/c1-4-25-15(23)13-12(9-18)19-16-20-17(26-3)21-22(16)14(13)10-5-7-11(24-2)8-6-10/h5-8,14H,4,9H2,1-3H3,(H,19,20,21)
InChIKey IGXPIAYMSAQGPG-UHFFFAOYSA-N
Mol Weight 394.88 g/mol
Molecular Formula C17H19ClN4O3S
Exact Mass 394.086639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COKgZ8TrmMO
Name Ethyl 7-(4-methoxyphenyl)-2-methylthio-5-chloromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClN4O3S
InChI InChI=1S/C17H19ClN4O3S/c1-4-25-15(23)13-12(9-18)19-16-20-17(26-3)21-22(16)14(13)10-5-7-11(24-2)8-6-10/h5-8,14H,4,9H2,1-3H3,(H,19,20,21)
InChIKey IGXPIAYMSAQGPG-UHFFFAOYSA-N
Molecular Weight 394.877 g/mol
SMILES N1C(=C(C([n]2c1nc(n2)SC)c1ccc(cc1)OC)C(=O)OCC)CCl
SPLASH splash10-0abj-0259000000-83ca9ce236d713e24292
Source of Spectrum Y-46-144-5j
Synonyms Ethyl 5-(chloromethyl)-7-(4-methoxyphenyl)-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666709