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5-(4-Chlorophenyl)-3-methyl-1-phenyl-6-pyrazolo[3,4-d]pyrimidinone
SpectraBase Compound ID 8CImHu66wRr
InChI InChI=1S/C18H13ClN4O/c1-12-16-11-22(14-9-7-13(19)8-10-14)18(24)20-17(16)23(21-12)15-5-3-2-4-6-15/h2-11H,1H3
InChIKey FBNAFUSONKAVCR-UHFFFAOYSA-N
Mol Weight 336.78 g/mol
Molecular Formula C18H13ClN4O
Exact Mass 336.077789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGfewZA9F8H
Name 5-(4-Chlorophenyl)-3-methyl-1-phenyl-6-pyrazolo[3,4-d]pyrimidinone
CAS Registry Number 115437-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClN4O
InChI InChI=1S/C18H13ClN4O/c1-12-16-11-22(14-9-7-13(19)8-10-14)18(24)20-17(16)23(21-12)15-5-3-2-4-6-15/h2-11H,1H3
InChIKey FBNAFUSONKAVCR-UHFFFAOYSA-N
Molecular Weight 336.782 g/mol
SMILES C12=NC(=O)N(C=C2C(C)=NN1c1ccccc1)c1ccc(cc1)Cl
SPLASH splash10-002r-7119000000-f50c52f1abdab9ae4c60
Source of Spectrum J-53-4660-19
Synonyms 5-(4-Chlorophenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-one
Wiley ID 1332274