For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-N-benzyl-2-chloro-2-phenylacetamide
SpectraBase Compound ID GCmEJhg0Hij
InChI InChI=1S/C22H23ClN4O2S/c1-26-20(28)17(19(24)25-22(26)30-2)14-27(13-15-9-5-3-6-10-15)21(29)18(23)16-11-7-4-8-12-16/h3-12,18H,13-14,24H2,1-2H3
InChIKey MFACSCRKUIBZJU-UHFFFAOYSA-N
Mol Weight 442.97 g/mol
Molecular Formula C22H23ClN4O2S
Exact Mass 442.123025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LHXJmJOqO89
Name N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-N-benzyl-2-chloro-2-phenylacetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23ClN4O2S
InChI InChI=1S/C22H23ClN4O2S/c1-26-20(28)17(19(24)25-22(26)30-2)14-27(13-15-9-5-3-6-10-15)21(29)18(23)16-11-7-4-8-12-16/h3-12,18H,13-14,24H2,1-2H3
InChIKey MFACSCRKUIBZJU-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 442.965 g/mol
Reported Formula C22H23N4O2SCl
SMILES NC=1N=C(N(C(C1CN(Cc1ccccc1)C(C(Cl)c1ccccc1)=O)=O)C)SC
SPLASH splash10-0019-3970000000-35b6f9e13adab058bca7
Source of Spectrum AJC-12-SM109-5s
Wiley ID 1857386