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

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Ethyl 7-hydroxy-7-chloromethyl-5-(4-methoxyphenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID DSIDfd83zaB
InChI InChI=1S/C23H25ClN4O4S/c1-3-32-20(29)18-19(16-9-11-17(31-2)12-10-16)25-21-26-22(27-28(21)23(18,30)14-24)33-13-15-7-5-4-6-8-15/h4-12,18-19,30H,3,13-14H2,1-2H3,(H,25,26,27)
InChIKey SGCAEZROTFYUNH-UHFFFAOYSA-N
Mol Weight 488.99 g/mol
Molecular Formula C23H25ClN4O4S
Exact Mass 488.128504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QKxRRqZLc
Name Ethyl 7-hydroxy-7-chloromethyl-5-(4-methoxyphenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25ClN4O4S
InChI InChI=1S/C23H25ClN4O4S/c1-3-32-20(29)18-19(16-9-11-17(31-2)12-10-16)25-21-26-22(27-28(21)23(18,30)14-24)33-13-15-7-5-4-6-8-15/h4-12,18-19,30H,3,13-14H2,1-2H3,(H,25,26,27)
InChIKey SGCAEZROTFYUNH-UHFFFAOYSA-N
Molecular Weight 488.990 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SCc1ccccc1)(O)CCl)C(=O)OCC)c1ccc(cc1)OC
SPLASH splash10-001l-5790000000-f3e4fe3f3cb85f2fc4f4
Source of Spectrum Y-46-147-6m
Synonyms 7-(chloromethyl)-7-hydroxy-5-(4-methoxyphenyl)-2-(phenylmethylthio)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-benzylsulfanyl-7-(chloromethyl)-7-hydroxy-5-(4-methoxyphenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 7-(chloromethyl)-5-(4-methoxyphenyl)-7-oxidanyl-2-(phenylmethylsulfanyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666692