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1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[1-[2-(4-morpholinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]-
SpectraBase Compound ID RhIRkloPAX
InChI InChI=1S/C21H23N7O4S/c1-24-16-17(25(2)21(31)26(3)18(16)30)23-19(24)33-20-22-13-6-4-5-7-14(13)28(20)12-15(29)27-8-10-32-11-9-27/h4-7H,8-12H2,1-3H3
InChIKey SOJGVZBBNNGDOX-UHFFFAOYSA-N
Mol Weight 469.52 g/mol
Molecular Formula C21H23N7O4S
Exact Mass 469.153223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I871gF27WP
Name 1,3,7-trimethyl-8-[1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)benzimidazol-2-yl]sulfanyl-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N7O4S
InChI InChI=1S/C21H23N7O4S/c1-24-16-17(25(2)21(31)26(3)18(16)30)23-19(24)33-20-22-13-6-4-5-7-14(13)28(20)12-15(29)27-8-10-32-11-9-27/h4-7H,8-12H2,1-3H3
InChIKey SOJGVZBBNNGDOX-UHFFFAOYSA-N
Molecular Weight 469.520 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1[n](CC(N2CCOCC2)=O)c2ccccc2n1
SPLASH splash10-0aor-9460100000-064044bb014791f9551e
Synonyms 1,3,7-trimethyl-8-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylpurine-2,6-dione 1,3,7-trimethyl-8-[1-(2-morpholino-2-oxo-ethyl)benzimidazol-2-yl]sulfanyl-purine-2,6-dione 1,3,7-trimethyl-8-[[1-[2-(4-morpholinyl)-2-oxoethyl]-2-benzimidazolyl]thio]purine-2,6-dione 8-[[1-(2-keto-2-morpholino-ethyl)benzimidazol-2-yl]thio]-1,3,7-trimethyl-xanthine
Wiley ID 1436860