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8-[1-(4-methoxy-benzyl)-1H-benzoimidazol-2-ylsulfanyl]-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID 1WlSHyXbQDP
InChI InChI=1S/C23H22N6O3S/c1-26-18-19(27(2)23(31)28(3)20(18)30)25-21(26)33-22-24-16-7-5-6-8-17(16)29(22)13-14-9-11-15(32-4)12-10-14/h5-12H,13H2,1-4H3
InChIKey GEPXNVWHMKKSGQ-UHFFFAOYSA-N
Mol Weight 462.53 g/mol
Molecular Formula C23H22N6O3S
Exact Mass 462.14741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7x3L74EONam
Name 8-[1-(4-methoxy-benzyl)-1H-benzoimidazol-2-ylsulfanyl]-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N6O3S
InChI InChI=1S/C23H22N6O3S/c1-26-18-19(27(2)23(31)28(3)20(18)30)25-21(26)33-22-24-16-7-5-6-8-17(16)29(22)13-14-9-11-15(32-4)12-10-14/h5-12H,13H2,1-4H3
InChIKey GEPXNVWHMKKSGQ-UHFFFAOYSA-N
Molecular Weight 462.528 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1[n](c2ccccc2n1)Cc1ccc(cc1)OC
SPLASH splash10-00dl-9710000000-e1726340a3056b0d7f11
Synonyms 8-{[1-(4-methoxybenzyl)-1H-benzimidazol-2-yl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Wiley ID 1436859