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

*Links on SpectraBase are not permalinks.
N-[(4-amino-1-methyl-2-methylsulfanyl-6-oxo-pyrimidin-5-yl)methyl]-2-chloro-N,2-diphenyl-acetamide
SpectraBase Compound ID 9ASRctEq4MK
InChI InChI=1S/C21H21ClN4O2S/c1-25-19(27)16(18(23)24-21(25)29-2)13-26(15-11-7-4-8-12-15)20(28)17(22)14-9-5-3-6-10-14/h3-12,17H,13,23H2,1-2H3
InChIKey OFMMSSJJJWEHHR-UHFFFAOYSA-N
Mol Weight 428.94 g/mol
Molecular Formula C21H21ClN4O2S
Exact Mass 428.107375 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 ELObFxYyJFa
Name N-[(4-amino-1-methyl-2-methylsulfanyl-6-oxo-pyrimidin-5-yl)methyl]-2-chloro-N,2-diphenyl-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN4O2S
InChI InChI=1S/C21H21ClN4O2S/c1-25-19(27)16(18(23)24-21(25)29-2)13-26(15-11-7-4-8-12-15)20(28)17(22)14-9-5-3-6-10-14/h3-12,17H,13,23H2,1-2H3
InChIKey OFMMSSJJJWEHHR-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 428.938 g/mol
Reported Formula C21H21N4O2SCl
SMILES NC=1N=C(N(C(C1CN(C(C(Cl)c1ccccc1)=O)c1ccccc1)=O)C)SC
SPLASH splash10-001i-0940000000-4dcf293a269f3bcda33f
Source of Spectrum AJC-12-SM107-5p
Wiley ID 1857383