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4-(9-(4-Chlorophenyl)-8-oxo-7,9-dihydrothiazolo[4,5-b]pyrano[2,3-d]pyrimidin-2-ylamino) benzenesulfonamide
SpectraBase Compound ID 2nnx54wdKZT
InChI InChI=1S/C20H14ClN5O4S2/c21-11-3-1-10(2-4-11)14-15-17(27)23-9-24-18(15)30-19-16(14)31-20(26-19)25-12-5-7-13(8-6-12)32(22,28)29/h1-9,14H,(H,25,26)(H2,22,28,29)(H,23,24,27)
InChIKey LLNUCHOEKPSINR-UHFFFAOYSA-N
Mol Weight 487.94 g/mol
Molecular Formula C20H14ClN5O4S2
Exact Mass 487.017574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tQ4u9UeJq
Name 4-(9-(4-Chlorophenyl)-8-oxo-7,9-dihydrothiazolo[4,5-b]pyrano[2,3-d]pyrimidin-2-ylamino) benzenesulfonamide
Alternate Name(s) 4-[[9-(4-chlorophenyl)-8-oxo-7,9-dihydro-[1,3]thiazolo[1,2]pyrano[4,5-d]pyrimidin-2-yl]amino]benzenesulfonamide 4-[[9-(4-chlorophenyl)-8-oxo-7,9-dihydrothiazolo[1,2]pyrano[4,5-d]pyrimidin-2-yl]amino]benzenesulfonamide 4-[[9-(4-chlorophenyl)-8-oxidanylidene-7,9-dihydro-[1,3]thiazolo[1,2]pyrano[4,5-d]pyrimidin-2-yl]amino]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C20H14ClN5O4S2
InChI InChI=1S/C20H14ClN5O4S2/c21-11-3-1-10(2-4-11)14-15-17(27)23-9-24-18(15)30-19-16(14)31-20(26-19)25-12-5-7-13(8-6-12)32(22,28)29/h1-9,14H,(H,25,26)(H2,22,28,29)(H,23,24,27)
InChIKey LLNUCHOEKPSINR-UHFFFAOYSA-N
Molecular Weight 487.936 g/mol
SMILES N1C=NC2=C(C(c3c(nc(s3)Nc3ccc(S(=O)(=O)N)cc3)O2)c2ccc(Cl)cc2)C1=O
SPLASH splash10-000b-0000900000-7fb21e77a50eb9825b34
Source of Spectrum F2-46-5124-6
Wiley ID 1689765