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6-amino-3-methyl-1-phenyl-N-[4-(aminosulfonyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SpectraBase Compound ID ErgRJujCaUH
InChI InChI=1S/C20H18N6O3S/c1-12-16-11-17(20(27)23-13-7-9-15(10-8-13)30(22,28)29)18(21)24-19(16)26(25-12)14-5-3-2-4-6-14/h2-11H,1H3,(H2,21,24)(H,23,27)(H2,22,28,29)
InChIKey TVLIXMNDALKGHU-UHFFFAOYSA-N
Mol Weight 422.46 g/mol
Molecular Formula C20H18N6O3S
Exact Mass 422.11611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8saHYSgYXVn
Name 6-amino-3-methyl-1-phenyl-N-[4-(aminosulfonyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N6O3S
InChI InChI=1S/C20H18N6O3S/c1-12-16-11-17(20(27)23-13-7-9-15(10-8-13)30(22,28)29)18(21)24-19(16)26(25-12)14-5-3-2-4-6-14/h2-11H,1H3,(H2,21,24)(H,23,27)(H2,22,28,29)
InChIKey TVLIXMNDALKGHU-UHFFFAOYSA-N
Instrument Name JEOL-JMS 600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2576
Molecular Weight 422.463 g/mol
SMILES Nc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c(n1)[n](nc2C)-c1ccccc1
SPLASH splash10-0006-3290000000-83d82b9ad543b142da77
Source of Spectrum Y-54-275-28
Wiley ID 1877804