3-Methyl-8-[(2-phenylethyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	D77lPodP816
InChI	InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
InChIKey	SGNIXJCUFHSJEL-UHFFFAOYSA-N Google Search
Mol Weight	344.43 g/mol
Molecular Formula	C17H20N4O2S
Exact Mass	344.130697 g/mol

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SpectraBase Spectrum ID	JpRu1mKYKy2
Name	3-Methyl-8-[(2-phenylethyl)sulfanyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H20N4O2S
InChI	InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
InChIKey	SGNIXJCUFHSJEL-UHFFFAOYSA-N
Molecular Weight	344.433 g/mol
SMILES	N1C(c2[n](c(nc2N(C1=O)C)SCCc1ccccc1)CCC)=O
SPLASH	splash10-052g-9720000000-edefc769a25cfc41ad5b
Synonyms	3-Methyl-8-(phenethylthio)-7-propyl-xanthine 3-Methyl-8-(2-phenylethylthio)-7-propylpurine-2,6-dione 3-Methyl-8-(2-phenylethylsulfanyl)-7-propylpurine-2,6-dione
Wiley ID	1451297