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8-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-butyl-1,3-dimethylpurine-2,6-dione
SpectraBase Compound ID G4yomVLc9kf
InChI InChI=1S/C19H27N9O3S/c1-4-5-6-28-13-14(25(2)19(30)26(3)15(13)29)23-18(28)32-11-12-21-16(20)24-17(22-12)27-7-9-31-10-8-27/h4-11H2,1-3H3,(H2,20,21,22,24)
InChIKey HXWJCEZLMNFLAC-UHFFFAOYSA-N
Mol Weight 461.55 g/mol
Molecular Formula C19H27N9O3S
Exact Mass 461.195757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XNc3Jbu542
Name 8-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-butyl-1,3-dimethylpurine-2,6-dione
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Formula C19H27N9O3S
InChI InChI=1S/C19H27N9O3S/c1-4-5-6-28-13-14(25(2)19(30)26(3)15(13)29)23-18(28)32-11-12-21-16(20)24-17(22-12)27-7-9-31-10-8-27/h4-11H2,1-3H3,(H2,20,21,22,24)
InChIKey HXWJCEZLMNFLAC-UHFFFAOYSA-N
Molecular Weight 461.545 g/mol
SMILES Nc1nc(nc(n1)CSc1nc2c(C(=O)N(C(N2C)=O)C)[n]1CCCC)N1CCOCC1
SPLASH splash10-0007-7910100000-ea1dd9ee8e139b4bf02b
Synonyms 8-[(4-amino-6-morpholino-1,3,5-triazin-2-yl)methylsulfanyl]-7-butyl-1,3-dimethyl-purine-2,6-dione 8-[(4-amino-6-morpholino-s-triazin-2-yl)methylthio]-7-butyl-1,3-dimethyl-xanthine 8-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-butyl-1,3-dimethyl-purine-2,6-dione 8-[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methylthio]-7-butyl-1,3-dimethylpurine-2,6-dione
Wiley ID 1461406