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1H-Purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-3,7-dihydro-1,3-dimethyl-7-propyl-
SpectraBase Compound ID 5QoZJOfeTEk
InChI InChI=1S/C19H27N9O2S/c1-4-8-28-13-14(25(2)19(30)26(3)15(13)29)23-18(28)31-11-12-21-16(20)24-17(22-12)27-9-6-5-7-10-27/h4-11H2,1-3H3,(H2,20,21,22,24)
InChIKey GTBYJOKSGUOFML-UHFFFAOYSA-N
Mol Weight 445.55 g/mol
Molecular Formula C19H27N9O2S
Exact Mass 445.200842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MoQgmccd1X
Name 1H-Purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-3,7-dihydro-1,3-dimethyl-7-propyl-
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Formula C19H27N9O2S
InChI InChI=1S/C19H27N9O2S/c1-4-8-28-13-14(25(2)19(30)26(3)15(13)29)23-18(28)31-11-12-21-16(20)24-17(22-12)27-9-6-5-7-10-27/h4-11H2,1-3H3,(H2,20,21,22,24)
InChIKey GTBYJOKSGUOFML-UHFFFAOYSA-N
Molecular Weight 445.546 g/mol
SMILES Nc1nc(CSc2nc3c(C(=O)N(C)C(N3C)=O)[n]2CCC)nc(n1)N1CCCCC1
SPLASH splash10-0006-4910200000-5c9518b34f2a35554050
Source of Spectrum IY-1-4691-5
Synonyms 8-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methylthio]-1,3-dimethyl-7-propylpurine-2,6-dione 8-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3-dimethyl-7-propylpurine-2,6-dione 8-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methylsulfanyl]-1,3-dimethyl-7-propyl-purine-2,6-dione 8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3-dimethyl-7-propyl-purine-2,6-dione
Wiley ID 1654898