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6-((4-Sulphonamidoanilino)methyl)-3-methylsulphanyl-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID AAn8ddcDCLq
InChI InChI=1S/C19H18N6O3S2/c1-29-19-16-17(25(23-19)14-5-3-2-4-6-14)21-15(22-18(16)26)11-20-12-7-9-13(10-8-12)24-30(27)28/h2-10,20,30H,11H2,1H3,(H,21,22,26)(H,24,27,28)
InChIKey MWDKRFBMPNZMQB-UHFFFAOYSA-N
Mol Weight 442.51 g/mol
Molecular Formula C19H18N6O3S2
Exact Mass 442.088181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4bxm9oTlVd
Name 6-((4-Sulphonamidoanilino)methyl)-3-methylsulphanyl-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N6O3S2
InChI InChI=1S/C19H18N6O3S2/c1-29-19-16-17(25(23-19)14-5-3-2-4-6-14)21-15(22-18(16)26)11-20-12-7-9-13(10-8-12)24-30(27)28/h2-10,20,30H,11H2,1H3,(H,21,22,26)(H,24,27,28)
InChIKey MWDKRFBMPNZMQB-UHFFFAOYSA-N
Molecular Weight 442.512 g/mol
SMILES N1C(c2c(N=C1CNc1ccc(NS(=O)=O)cc1)[n](nc2SC)-c1ccccc1)=O
SPLASH splash10-004i-9000100000-725879ab1b9d81823614
Source of Spectrum F2-45-5289-9b
Wiley ID 1703587