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benzenesulfonamide, N-[2-[(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]ethyl]-
SpectraBase Compound ID 8531ADhtsSm
InChI InChI=1S/C16H19N5O4S2/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)26-10-9-17-27(24,25)11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3
InChIKey PDEPRFHBWGFMLV-UHFFFAOYSA-N
Mol Weight 409.48 g/mol
Molecular Formula C16H19N5O4S2
Exact Mass 409.087846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OG2uXAtnNW
Name N-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]benzenesulfonamide
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Formula C16H19N5O4S2
InChI InChI=1S/C16H19N5O4S2/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)26-10-9-17-27(24,25)11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3
InChIKey PDEPRFHBWGFMLV-UHFFFAOYSA-N
Molecular Weight 409.479 g/mol
SMILES N(S(=O)(=O)c1ccccc1)CCSc1nc2c(C(=O)N(C(N2C)=O)C)[n]1C
SPLASH splash10-004i-9440100000-6a6dd7dcc46db4f5e717
Synonyms N-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]ethyl]benzenesulfonamide N-[2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]ethyl]benzenesulfonamide N-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl]benzenesulfonamide
Wiley ID 1462108