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Ethyl 7-hydroxy-7-methyl-5-(4-methoxyphenyl)-2-methylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 7-hydroxy-7-methyl-5-(4-methoxyphenyl)-2-methylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID BvdFib1xTut
InChI InChI=1S/C17H22N4O4S/c1-5-25-14(22)12-13(10-6-8-11(24-3)9-7-10)18-15-19-16(26-4)20-21(15)17(12,2)23/h6-9,12-13,23H,5H2,1-4H3,(H,18,19,20)
InChIKey KOIPVUOBNJRPAS-UHFFFAOYSA-N
Mol Weight 378.45 g/mol
Molecular Formula C17H22N4O4S
Exact Mass 378.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWM48FuWZR2
Name Ethyl 7-hydroxy-7-methyl-5-(4-methoxyphenyl)-2-methylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N4O4S
InChI InChI=1S/C17H22N4O4S/c1-5-25-14(22)12-13(10-6-8-11(24-3)9-7-10)18-15-19-16(26-4)20-21(15)17(12,2)23/h6-9,12-13,23H,5H2,1-4H3,(H,18,19,20)
InChIKey KOIPVUOBNJRPAS-UHFFFAOYSA-N
Molecular Weight 378.447 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SC)(O)C)C(=O)OCC)c1ccc(cc1)OC
SPLASH splash10-002b-0972000000-f8d59066fda893a1f344
Source of Spectrum Y-46-147-6a
Synonyms Ethyl 7-hydroxy-5-(4-methoxyphenyl)-7-methyl-2-methylsulfanyl-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 5-(4-methoxyphenyl)-7-methyl-2-methylsulfanyl-7-oxidanyl-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666697