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N-(3,4-dichlorophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-(3,4-dichlorophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID 4mYK5b3KULE
InChI InChI=1S/C19H13Cl2N5OS/c20-15-7-6-12(8-16(15)21)25-17(27)10-28-19-14-9-24-26(18(14)22-11-23-19)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,25,27)
InChIKey BJXVISIXWZTDQL-UHFFFAOYSA-N
Mol Weight 430.31 g/mol
Molecular Formula C19H13Cl2N5OS
Exact Mass 429.021787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jsu4S9bKYcJ
Name N-(3,4-Dichlorophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.021786632 u
Formula C19H13Cl2N5OS
InChI InChI=1S/C19H13Cl2N5OS/c20-15-7-6-12(8-16(15)21)25-17(27)10-28-19-14-9-24-26(18(14)22-11-23-19)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,25,27)
InChIKey BJXVISIXWZTDQL-UHFFFAOYSA-N
Molecular Weight 430.313 g/mol
SMILES N(C(CSC=1C2=C(N(N=C2)C=2C=CC=CC2)N=CN1)=O)C1=CC(Cl)=C(C=C1)Cl