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8-Ethyl-9-(3-mesyloxypropyl)-1-methyl-3,9-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FCwZMahTrHL
InChI InChI=1S/C12H18N4O5S/c1-4-8-13-9-10(14-12(18)15(2)11(9)17)16(8)6-5-7-21-22(3,19)20/h4-7H2,1-3H3,(H,14,18)
InChIKey CAWTZRRVCLMNHK-UHFFFAOYSA-N
Mol Weight 330.36 g/mol
Molecular Formula C12H18N4O5S
Exact Mass 330.099791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrqYHGnIiUI
Name 8-Ethyl-9-(3-mesyloxypropyl)-1-methyl-3,9-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N4O5S
InChI InChI=1S/C12H18N4O5S/c1-4-8-13-9-10(14-12(18)15(2)11(9)17)16(8)6-5-7-21-22(3,19)20/h4-7H2,1-3H3,(H,14,18)
InChIKey CAWTZRRVCLMNHK-UHFFFAOYSA-N
Molecular Weight 330.359 g/mol
SMILES N1C(N(C(c2nc([n](c12)CCCOS(=O)(=O)C)CC)=O)C)=O
SPLASH splash10-0032-9770000000-f1ae1bbe646303bd2320
Source of Spectrum SO-0-839-9
Synonyms 3-(8-Ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)propyl methanesulfonate
Wiley ID 1545882