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7-(2-Chlorobenzyl)-8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-xanthine
SpectraBase Compound ID ADhw7tvcTqs
InChI InChI=1S/C20H22ClN5O4S/c1-23-17-16(18(28)24(2)20(23)29)26(11-13-5-3-4-6-14(13)21)19(22-17)31-12-15(27)25-7-9-30-10-8-25/h3-6H,7-12H2,1-2H3
InChIKey XKNFAQOSUCMRRQ-UHFFFAOYSA-N
Mol Weight 463.94 g/mol
Molecular Formula C20H22ClN5O4S
Exact Mass 463.108103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jut6Az2FomT
Name 7-(2-Chlorobenzyl)-8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-xanthine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClN5O4S
InChI InChI=1S/C20H22ClN5O4S/c1-23-17-16(18(28)24(2)20(23)29)26(11-13-5-3-4-6-14(13)21)19(22-17)31-12-15(27)25-7-9-30-10-8-25/h3-6H,7-12H2,1-2H3
InChIKey XKNFAQOSUCMRRQ-UHFFFAOYSA-N
Molecular Weight 463.940 g/mol
SMILES c12c([n](Cc3c(Cl)cccc3)c(n1)SCC(N1CCOCC1)=O)C(=O)N(C(N2C)=O)C
SPLASH splash10-004i-6922000000-071f92dbee082e997cfe
Synonyms 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-purine-2,6-dione 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanylpurine-2,6-dione 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-morpholino-2-oxo-ethyl)sulfanyl-purine-2,6-dione 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]purine-2,6-dione
Wiley ID 1458233