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Benzyl 4-(5-bromo-2-thienyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 3vMWRwcoi6k
InChI InChI=1S/C18H17BrN2O3S/c1-11-15(17(22)24-10-12-6-4-3-5-7-12)16(20-18(23)21(11)2)13-8-9-14(19)25-13/h3-9,16H,10H2,1-2H3,(H,20,23)
InChIKey OWTHXXJMJCRULF-UHFFFAOYSA-N
Mol Weight 421.31 g/mol
Molecular Formula C18H17BrN2O3S
Exact Mass 420.014327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkQbpj1oj4y
Name Benzyl 4-(5-bromo-2-thienyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CAS Registry Number 299919-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17BrN2O3S
InChI InChI=1S/C18H17BrN2O3S/c1-11-15(17(22)24-10-12-6-4-3-5-7-12)16(20-18(23)21(11)2)13-8-9-14(19)25-13/h3-9,16H,10H2,1-2H3,(H,20,23)
InChIKey OWTHXXJMJCRULF-UHFFFAOYSA-N
Molecular Weight 421.309 g/mol
SMILES N1C(C(=C(N(C1=O)C)C)C(OCc1ccccc1)=O)c1sc(Br)cc1
SPLASH splash10-0006-9212000000-8429834af563d61cb8f7
Source of Spectrum AD-0-2532-0
Synonyms (phenylmethyl) 6-(5-bromanylthiophen-2-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate 6-(5-bromo-2-thienyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester 6-(5-bromo-2-thiophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester benzyl 6-(5-bromo-2-thienyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate benzyl 6-(5-bromothiophen-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-4-(5-bromo-2-thienyl)-1,6-dimethyl-, benzyl ester
Wiley ID 1431068