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N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-N-benzyl-2-bromohexanamide
SpectraBase Compound ID 80ysVW1NNWv
InChI InChI=1S/C20H27BrN4O2S/c1-4-5-11-16(21)19(27)25(12-14-9-7-6-8-10-14)13-15-17(22)23-20(28-3)24(2)18(15)26/h6-10,16H,4-5,11-13,22H2,1-3H3
InChIKey BUFUPTDTVXLZFX-UHFFFAOYSA-N
Mol Weight 467.43 g/mol
Molecular Formula C20H27BrN4O2S
Exact Mass 466.10381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iRz8J2p9JU
Name N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-N-benzyl-2-bromohexanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27BrN4O2S
InChI InChI=1S/C20H27BrN4O2S/c1-4-5-11-16(21)19(27)25(12-14-9-7-6-8-10-14)13-15-17(22)23-20(28-3)24(2)18(15)26/h6-10,16H,4-5,11-13,22H2,1-3H3
InChIKey BUFUPTDTVXLZFX-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 467.426 g/mol
Reported Formula C20H27N4O2SBr
SMILES NC=1N=C(N(C(C1CN(Cc1ccccc1)C(C(Br)CCCC)=O)=O)C)SC
SPLASH splash10-0f6x-9340000000-3e8d756ae4c45d89abca
Source of Spectrum AJC-12-SM110-5v
Wiley ID 1857389