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benzyl 2-[6-amino-2-(2-benzyloxy-2-oxo-ethyl)sulfanyl-4-oxo-pyrimidin-1-yl]acetate
SpectraBase Compound ID 70B6IzqTNpt
InChI InChI=1S/C22H21N3O5S/c23-18-11-19(26)24-22(31-15-21(28)30-14-17-9-5-2-6-10-17)25(18)12-20(27)29-13-16-7-3-1-4-8-16/h1-11H,12-15,23H2
InChIKey AMHVTZQNSFXHPW-UHFFFAOYSA-N
Mol Weight 439.49 g/mol
Molecular Formula C22H21N3O5S
Exact Mass 439.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zSxAztthZk
Name benzyl 2-[6-amino-2-(2-benzyloxy-2-oxo-ethyl)sulfanyl-4-oxo-pyrimidin-1-yl]acetate
Alternate Name(s) benzyl 2-((6-amino-1-(2-(benzyloxy)-2-oxoethyl)-4-oxo-1,4-dihydropyrimidin-2-yl)thio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O5S
InChI InChI=1S/C22H21N3O5S/c23-18-11-19(26)24-22(31-15-21(28)30-14-17-9-5-2-6-10-17)25(18)12-20(27)29-13-16-7-3-1-4-8-16/h1-11H,12-15,23H2
InChIKey AMHVTZQNSFXHPW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1122
Molecular Weight 439.486 g/mol
SMILES NC1=CC(=O)N=C(N1CC(=O)OCc1ccccc1)SCC(=O)OCc1ccccc1
SPLASH splash10-0006-9100100000-66ad7192cde82aeb56be
Source of Spectrum RCM-17-1920-17
Wiley ID 1819894