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4-(8-Amino-9(4-chlorophenyl)-9H- thiazolo[4,5-b]pyrano[2,3-d]pyrimidine-2-ylamino) benzenesulfonamide
SpectraBase Compound ID BvZXTyaqkSM
InChI InChI=1S/C20H15ClN6O3S2/c21-11-3-1-10(2-4-11)14-15-17(22)24-9-25-18(15)30-19-16(14)31-20(27-19)26-12-5-7-13(8-6-12)32(23,28)29/h1-9,14H,(H,26,27)(H2,22,24,25)(H2,23,28,29)
InChIKey IYBJKGKIQCWOOB-UHFFFAOYSA-N
Mol Weight 486.95 g/mol
Molecular Formula C20H15ClN6O3S2
Exact Mass 486.033558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNtta23szb1
Name 4-(8-Amino-9(4-chlorophenyl)-9H- thiazolo[4,5-b]pyrano[2,3-d]pyrimidine-2-ylamino) benzenesulfonamide
Alternate Name(s) 4-[[8-amino-9-(4-chlorophenyl)-9H-[1,3]thiazolo[4,5]pyrano[1,2-c]pyrimidin-2-yl]amino]benzenesulfonamide 4-[[8-azanyl-9-(4-chlorophenyl)-9H-[1,3]thiazolo[4,5]pyrano[1,2-c]pyrimidin-2-yl]amino]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN6O3S2
InChI InChI=1S/C20H15ClN6O3S2/c21-11-3-1-10(2-4-11)14-15-17(22)24-9-25-18(15)30-19-16(14)31-20(27-19)26-12-5-7-13(8-6-12)32(23,28)29/h1-9,14H,(H,26,27)(H2,22,24,25)(H2,23,28,29)
InChIKey IYBJKGKIQCWOOB-UHFFFAOYSA-N
Molecular Weight 486.952 g/mol
SMILES Nc1c2C(c3c(nc(s3)Nc3ccc(S(=O)(=O)N)cc3)Oc2ncn1)c1ccc(cc1)Cl
SPLASH splash10-004i-0900000000-4f4ab9b3f8f489049a8b
Source of Spectrum F2-46-5124-10
Wiley ID 1689762