8-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-butyl-1,3-dimethylpurine-2,6-dione

SpectraBase Compound ID	7wnWZ8X1M0H
InChI	InChI=1S/C20H29N9O2S/c1-4-5-11-29-14-15(26(2)20(31)27(3)16(14)30)24-19(29)32-12-13-22-17(21)25-18(23-13)28-9-7-6-8-10-28/h4-12H2,1-3H3,(H2,21,22,23,25)
InChIKey	PGHMRKXLOJJJQN-UHFFFAOYSA-N Google Search
Mol Weight	459.57 g/mol
Molecular Formula	C20H29N9O2S
Exact Mass	459.216492 g/mol

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SpectraBase Spectrum ID	3WmQpL4svSI
Name	8-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-butyl-1,3-dimethylpurine-2,6-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H29N9O2S
InChI	InChI=1S/C20H29N9O2S/c1-4-5-11-29-14-15(26(2)20(31)27(3)16(14)30)24-19(29)32-12-13-22-17(21)25-18(23-13)28-9-7-6-8-10-28/h4-12H2,1-3H3,(H2,21,22,23,25)
InChIKey	PGHMRKXLOJJJQN-UHFFFAOYSA-N
Molecular Weight	459.573 g/mol
SMILES	Nc1nc(nc(n1)CSc1nc2c(C(=O)N(C(N2C)=O)C)[n]1CCCC)N1CCCCC1
SPLASH	splash10-0006-6910000000-25e6d3f1a70041683bd1
Synonyms	8-[(4-amino-6-piperidino-s-triazin-2-yl)methylthio]-7-butyl-1,3-dimethyl-xanthine 8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-butyl-1,3-dimethyl-purine-2,6-dione 8-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methylthio]-7-butyl-1,3-dimethylpurine-2,6-dione 8-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methylsulfanyl]-7-butyl-1,3-dimethyl-purine-2,6-dione
Wiley ID	1461407