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N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-N-benzyl-2-bromobutanamide
SpectraBase Compound ID C8Ul4Cw5N2T
InChI InChI=1S/C18H23BrN4O2S/c1-4-14(19)17(25)23(10-12-8-6-5-7-9-12)11-13-15(20)21-18(26-3)22(2)16(13)24/h5-9,14H,4,10-11,20H2,1-3H3
InChIKey PQAAMHYPIFLQHV-UHFFFAOYSA-N
Mol Weight 439.37 g/mol
Molecular Formula C18H23BrN4O2S
Exact Mass 438.07251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IXtTlsMGnt
Name N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-N-benzyl-2-bromobutanamide
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Formula C18H23BrN4O2S
InChI InChI=1S/C18H23BrN4O2S/c1-4-14(19)17(25)23(10-12-8-6-5-7-9-12)11-13-15(20)21-18(26-3)22(2)16(13)24/h5-9,14H,4,10-11,20H2,1-3H3
InChIKey PQAAMHYPIFLQHV-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 439.372 g/mol
Reported Formula C18H23N4O2SBr
SMILES NC=1N=C(N(C(C1CN(Cc1ccccc1)C(C(Br)CC)=O)=O)C)SC
SPLASH splash10-001r-0921000000-33eaeceb6ac5efdf62d9
Source of Spectrum AJC-12-SM110-5u
Wiley ID 1857388