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7-[(4-Tolylsulfonyl0xyl)methyl]-1,3-dimethyl-6,7-dihydro-oxazolo[2,3-f]purine-1H,3H,2,4-dione
SpectraBase Compound ID 9izHO5UmI3o
InChI InChI=1S/C17H18N4O6S/c1-10-4-6-12(7-5-10)28(24,25)26-9-11-8-21-13-14(18-16(21)27-11)19(2)17(23)20(3)15(13)22/h4-7,11H,8-9H2,1-3H3
InChIKey IGBQGMCRLDJSJA-UHFFFAOYSA-N
Mol Weight 406.41 g/mol
Molecular Formula C17H18N4O6S
Exact Mass 406.094705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTw4xKnZR7N
Name 7-[(4-Tolylsulfonyl0xyl)methyl]-1,3-dimethyl-6,7-dihydro-oxazolo[2,3-f]purine-1H,3H,2,4-dione
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Formula C17H18N4O6S
InChI InChI=1S/C17H18N4O6S/c1-10-4-6-12(7-5-10)28(24,25)26-9-11-8-21-13-14(18-16(21)27-11)19(2)17(23)20(3)15(13)22/h4-7,11H,8-9H2,1-3H3
InChIKey IGBQGMCRLDJSJA-UHFFFAOYSA-N
Molecular Weight 406.413 g/mol
SMILES c12c([n]3CC(Oc3n2)COS(c2ccc(cc2)C)(=O)=O)C(=O)N(C(N1C)=O)C
SPLASH splash10-0a4i-2010900000-420693c8af2662f95cfd
Source of Spectrum Y-46-193-6
Synonyms 4-Methylbenzenesulfonic acid (2,4-dimethyl-1,3-dioxo-7,8-dihydropurino[8,7-b]oxazol-7-yl)methyl ester (2,4-dimethyl-1,3-dioxo-7,8-dihydropurino[8,7-b][1,3]oxazol-7-yl)methyl 4-methylbenzenesulfonate (2,4-dimethyl-1,3-dioxo-7,8-dihydropurino[8,7-b]oxazol-7-yl)methyl 4-methylbenzenesulfonate [2,4-dimethyl-1,3-bis(oxidanylidene)-7,8-dihydropurino[8,7-b][1,3]oxazol-7-yl]methyl 4-methylbenzenesulfonate
Wiley ID 1667301