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Ethyl 7-(4-methoxyphenyl)-2-benzylthio-5-chloromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 2OFNTIw9pOz
InChI InChI=1S/C23H23ClN4O3S/c1-3-31-21(29)19-18(13-24)25-22-26-23(32-14-15-7-5-4-6-8-15)27-28(22)20(19)16-9-11-17(30-2)12-10-16/h4-12,20H,3,13-14H2,1-2H3,(H,25,26,27)
InChIKey UHMXYNCRJMZIFL-UHFFFAOYSA-N
Mol Weight 470.98 g/mol
Molecular Formula C23H23ClN4O3S
Exact Mass 470.117939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BakFxGL3TN
Name Ethyl 7-(4-methoxyphenyl)-2-benzylthio-5-chloromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23ClN4O3S
InChI InChI=1S/C23H23ClN4O3S/c1-3-31-21(29)19-18(13-24)25-22-26-23(32-14-15-7-5-4-6-8-15)27-28(22)20(19)16-9-11-17(30-2)12-10-16/h4-12,20H,3,13-14H2,1-2H3,(H,25,26,27)
InChIKey UHMXYNCRJMZIFL-UHFFFAOYSA-N
Molecular Weight 470.975 g/mol
SMILES N1C(=C(C([n]2c1nc(n2)SCc1ccccc1)c1ccc(cc1)OC)C(=O)OCC)CCl
SPLASH splash10-007o-5542900000-a9faff78fb807b94d104
Source of Spectrum Y-46-146-5m
Synonyms 5-(chloromethyl)-7-(4-methoxyphenyl)-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-benzylsulfanyl-5-(chloromethyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 5-(chloromethyl)-7-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666706