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8-Chloro-4-oxo-2-phenyl-7-[4-oxo-3-(3-(trihydroxysilyl)-n-propyl)-1,3-thiazolidin-2-yl]-4H-pyrimido[1,2-a]pyrimidine-3-carbonitrile

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8-Chloro-4-oxo-2-phenyl-7-[4-oxo-3-(3-(trihydroxysilyl)-n-propyl)-1,3-thiazolidin-2-yl]-4H-pyrimido[1,2-a]pyrimidine-3-carbonitrile
SpectraBase Compound ID 8pJnIA1OuVl
InChI InChI=1S/C20H18ClN5O5SSi/c21-17-14(19-25(15(27)11-32-19)7-4-8-33(29,30)31)10-26-18(28)13(9-22)16(23-20(26)24-17)12-5-2-1-3-6-12/h1-3,5-6,10,19,29-31H,4,7-8,11H2
InChIKey ZDRLYIPHPHQIKF-UHFFFAOYSA-N
Mol Weight 503.99 g/mol
Molecular Formula C20H18ClN5O5SSi
Exact Mass 503.048644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fdl9H1OWxA
Name 8-Chloro-4-oxo-2-phenyl-7-[4-oxo-3-(3-(trihydroxysilyl)-n-propyl)-1,3-thiazolidin-2-yl]-4H-pyrimido[1,2-a]pyrimidine-3-carbonitrile
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClN5O5SSi
InChI InChI=1S/C20H18ClN5O5SSi/c21-17-14(19-25(15(27)11-32-19)7-4-8-33(29,30)31)10-26-18(28)13(9-22)16(23-20(26)24-17)12-5-2-1-3-6-12/h1-3,5-6,10,19,29-31H,4,7-8,11H2
InChIKey ZDRLYIPHPHQIKF-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4237
Molecular Weight 503.992 g/mol
SMILES O[Si](CCCN1C(CSC1C1=CN2C(C(C#N)=C(N=C2N=C1Cl)c1ccccc1)=O)=O)(O)O
SPLASH splash10-0a4i-9312100000-21d8e31d7c3e95f04df8
Source of Spectrum Y-58-1076-7
Wiley ID 1879392