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5,7-Dihydroxy-2-(phenylamino)-N-(4-phenylthiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID 2nl7lCgMFAp
InChI InChI=1S/C22H16N6O3S/c29-16-11-17(30)28-20(25-16)18(19(27-28)23-14-9-5-2-6-10-14)21(31)26-22-24-15(12-32-22)13-7-3-1-4-8-13/h1-12,30H,(H,23,27)(H,25,29)(H,24,26,31)
InChIKey GPQREQOFMFGCKJ-UHFFFAOYSA-N
Mol Weight 444.47 g/mol
Molecular Formula C22H16N6O3S
Exact Mass 444.10046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SNxnkdBsio
Name 5,7-Dihydroxy-2-(phenylamino)-N-(4-phenylthiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.100459570 u
Formula C22H16N6O3S
InChI InChI=1S/C22H16N6O3S/c29-16-11-17(30)28-20(25-16)18(19(27-28)23-14-9-5-2-6-10-14)21(31)26-22-24-15(12-32-22)13-7-3-1-4-8-13/h1-12,30H,(H,23,27)(H,25,29)(H,24,26,31)
InChIKey GPQREQOFMFGCKJ-UHFFFAOYSA-N
Instrument Name Finnegan MAT 212
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2278
Molecular Weight 444.469 g/mol
Quality 1
SMILES N(C(C1=C2N=C(C=C(N2N=C1NC=1C=CC=CC1)O)O)=O)C=1SC=C(N1)C=1C=CC=CC1
SPLASH splash10-004i-0902000000-72a677a5b44fd2cdf1db
Source of Spectrum Y-52-1797-8 (DOI: 10.1002/jhet.2278)
Wiley ID 1902639