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-2,2-diphenylacetamide
SpectraBase Compound ID ARIlcPCHAYd
InChI InChI=1S/C28H27ClN4O2S/c1-32-25(34)23(24(30)31-27(32)36-2)19-33(18-20-12-6-3-7-13-20)26(35)28(29,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19,30H2,1-2H3
InChIKey HKWYHYJQWWYZLX-UHFFFAOYSA-N
Mol Weight 519.06 g/mol
Molecular Formula C28H27ClN4O2S
Exact Mass 518.154325 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 1hSqd9NLKeb
Name N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-N-benzyl-2-chloro-2,2-diphenylacetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27ClN4O2S
InChI InChI=1S/C28H27ClN4O2S/c1-32-25(34)23(24(30)31-27(32)36-2)19-33(18-20-12-6-3-7-13-20)26(35)28(29,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19,30H2,1-2H3
InChIKey HKWYHYJQWWYZLX-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 519.063 g/mol
Reported Formula C28H27N4O2SCl
SMILES NC=1N=C(N(C(C1CN(Cc1ccccc1)C(C(Cl)(c1ccccc1)c1ccccc1)=O)=O)C)SC
SPLASH splash10-02tc-1925000000-db152b268d67dd2a6fc9
Source of Spectrum AJC-12-SM109-5t
Wiley ID 1857387