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6-[(4-chlorophenyl)imino]-3-methyl-1-phenyl-5-(4-methylphenyl)-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID JXViP7BTfiU
InChI InChI=1S/C25H20ClN5/c1-17-8-14-21(15-9-17)30-16-23-18(2)29-31(22-6-4-3-5-7-22)24(23)28-25(30)27-20-12-10-19(26)11-13-20/h3-16H,1-2H3/b27-25+
InChIKey UOKSVKPXQCFFPB-IMVLJIQESA-N
Mol Weight 425.92 g/mol
Molecular Formula C25H20ClN5
Exact Mass 425.140723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzhOzYV8SJM
Name 6-[(4-chlorophenyl)imino]-3-methyl-1-phenyl-5-(4-methylphenyl)-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
Alternate Name(s) 4-Chloro-N-[(6Z)-3-methyl-5-(4-methylphenyl)-1-phenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]aniline N-(4-chlorophenyl)-N-[(6Z)-3-methyl-5-(4-methylphenyl)-1-phenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]amine
CAS Registry Number 115437-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20ClN5
InChI InChI=1S/C25H20ClN5/c1-17-8-14-21(15-9-17)30-16-23-18(2)29-31(22-6-4-3-5-7-22)24(23)28-25(30)27-20-12-10-19(26)11-13-20/h3-16H,1-2H3/b27-25+
InChIKey UOKSVKPXQCFFPB-IMVLJIQESA-N
Molecular Weight 425.923 g/mol
SMILES C12=N\C(=N/c3ccc(cc3)Cl)N(C=C1C(C)=NN2c1ccccc1)c1ccc(cc1)C
SPLASH splash10-004l-9400300000-efcd1475f8405f476efb
Source of Spectrum J-53-4659-14
Wiley ID 1379670