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Ethyl 7-hydroxy-7-methyl-5-(4-methylphenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 7xGbmIgIVqH
InChI InChI=1S/C23H26N4O3S/c1-4-30-20(28)18-19(17-12-10-15(2)11-13-17)24-21-25-22(26-27(21)23(18,3)29)31-14-16-8-6-5-7-9-16/h5-13,18-19,29H,4,14H2,1-3H3,(H,24,25,26)
InChIKey BDAWJZRKTFKNKD-UHFFFAOYSA-N
Mol Weight 438.55 g/mol
Molecular Formula C23H26N4O3S
Exact Mass 438.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYoI28rXKI5
Name Ethyl 7-hydroxy-7-methyl-5-(4-methylphenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
Alternate Name(s) 7-Hydroxy-7-methyl-5-(4-methylphenyl)-2-(phenylmethylthio)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-benzylsulfanyl-7-hydroxy-7-methyl-5-(4-methylphenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 2-benzylsulfanyl-7-hydroxy-7-methyl-5-(p-tolyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 7-methyl-5-(4-methylphenyl)-7-oxidanyl-2-(phenylmethylsulfanyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
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Formula C23H26N4O3S
InChI InChI=1S/C23H26N4O3S/c1-4-30-20(28)18-19(17-12-10-15(2)11-13-17)24-21-25-22(26-27(21)23(18,3)29)31-14-16-8-6-5-7-9-16/h5-13,18-19,29H,4,14H2,1-3H3,(H,24,25,26)
InChIKey BDAWJZRKTFKNKD-UHFFFAOYSA-N
Molecular Weight 438.546 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SCc1ccccc1)(O)C)C(=O)OCC)c1ccc(cc1)C
SPLASH splash10-05mo-4692000000-2cb56c89ac8e91216012
Source of Spectrum Y-46-147-6f
Wiley ID 1666695