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(4Z)-N-[(E)-(2,4-dichlorophenyl)methylidene]-4-imino-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-amine

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(4Z)-N-[(E)-(2,4-dichlorophenyl)methylidene]-4-imino-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-amine
SpectraBase Compound ID 9F7CwJAkchG
InChI InChI=1S/C18H12Cl2N6/c19-13-7-6-12(16(20)8-13)9-23-25-11-22-18-15(17(25)21)10-24-26(18)14-4-2-1-3-5-14/h1-11,21H/b21-17-,23-9+
InChIKey ULKDIFCQLRBPPL-NLTNTBFOSA-N
Mol Weight 383.24 g/mol
Molecular Formula C18H12Cl2N6
Exact Mass 382.05005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0Is4j6IYD0
Name (4Z)-N-[(E)-(2,4-Dichlorophenyl)methylidene]-4-imino-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-D]pyrimidin-5-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.050049810 u
Formula C18H12Cl2N6
InChI InChI=1S/C18H12Cl2N6/c19-13-7-6-12(16(20)8-13)9-23-25-11-22-18-15(17(25)21)10-24-26(18)14-4-2-1-3-5-14/h1-11,21H/b21-17-,23-9+
InChIKey ULKDIFCQLRBPPL-NLTNTBFOSA-N
Molecular Weight 383.242 g/mol
SMILES C12=C(C(=N)N(C=N2)\N=C\C2=C(C=C(C=C2)Cl)Cl)C=NN1C=1C=CC=CC1