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N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-N-benzyl-2-chloropropanamide
SpectraBase Compound ID 8rSipJchVyE
InChI InChI=1S/C17H21ClN4O2S/c1-11(18)15(23)22(9-12-7-5-4-6-8-12)10-13-14(19)20-17(25-3)21(2)16(13)24/h4-8,11H,9-10,19H2,1-3H3
InChIKey TXBFTWAWHMWQNO-UHFFFAOYSA-N
Mol Weight 380.89 g/mol
Molecular Formula C17H21ClN4O2S
Exact Mass 380.107375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkMm6o2RxhZ
Name N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-N-benzyl-2-chloropropanamide
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Formula C17H21ClN4O2S
InChI InChI=1S/C17H21ClN4O2S/c1-11(18)15(23)22(9-12-7-5-4-6-8-12)10-13-14(19)20-17(25-3)21(2)16(13)24/h4-8,11H,9-10,19H2,1-3H3
InChIKey TXBFTWAWHMWQNO-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 380.894 g/mol
Reported Formula C17H21N4O2SCl
SMILES NC=1N=C(N(C(C1CN(Cc1ccccc1)C(C(Cl)C)=O)=O)C)SC
SPLASH splash10-0019-3940000000-4848cad6302593ce57a7
Source of Spectrum AJC-12-SM108-5r
Wiley ID 1857385