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7-Butyl-8-[(3-methoxybenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KQL5zEUh40G
InChI InChI=1S/C19H24N4O3S/c1-5-6-10-23-15-16(21(2)19(25)22(3)17(15)24)20-18(23)27-12-13-8-7-9-14(11-13)26-4/h7-9,11H,5-6,10,12H2,1-4H3
InChIKey AWXQUDIYCBHMAU-UHFFFAOYSA-N
Mol Weight 388.49 g/mol
Molecular Formula C19H24N4O3S
Exact Mass 388.156912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYspLvLgagl
Name 7-Butyl-8-[(3-methoxybenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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Formula C19H24N4O3S
InChI InChI=1S/C19H24N4O3S/c1-5-6-10-23-15-16(21(2)19(25)22(3)17(15)24)20-18(23)27-12-13-8-7-9-14(11-13)26-4/h7-9,11H,5-6,10,12H2,1-4H3
InChIKey AWXQUDIYCBHMAU-UHFFFAOYSA-N
Molecular Weight 388.486 g/mol
SMILES COc1cccc(CSc2nc3N(C)C(=O)N(C(c3[n]2CCCC)=O)C)c1
SPLASH splash10-00di-7924000000-4cd2b1a08e81556df0e8
Synonyms 7-Butyl-8-(m-anisylthio)-1,3-dimethyl-xanthine 7-Butyl-8-[(3-methoxyphenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione 7-Butyl-8-[(3-methoxyphenyl)methylthio]-1,3-dimethylpurine-2,6-dione Purine-2,6-dione, 7-butyl-8-(3-methoxybenzylsulfanyl)-1,3-dimethyl-3,7-dihydro-
Wiley ID 1446473