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6-(Phenylimino)-3-methyl-1-phenyl-5-(4-nitrophenyl)-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID BQEbSUMUYLb
InChI InChI=1S/C24H18N6O2/c1-17-22-16-28(19-12-14-21(15-13-19)30(31)32)24(25-18-8-4-2-5-9-18)26-23(22)29(27-17)20-10-6-3-7-11-20/h2-16H,1H3/b25-24+
InChIKey FJBSULFNAGPMIK-OCOZRVBESA-N
Mol Weight 422.45 g/mol
Molecular Formula C24H18N6O2
Exact Mass 422.149124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4d0l5qK1oqK
Name 6-(Phenylimino)-3-methyl-1-phenyl-5-(4-nitrophenyl)-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
Alternate Name(s) N-[(6Z)-3-methyl-5-(4-nitrophenyl)-1-phenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]-N-phenylamine N-[(6Z)-3-methyl-5-(4-nitrophenyl)-1-phenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]aniline
CAS Registry Number 115437-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N6O2
InChI InChI=1S/C24H18N6O2/c1-17-22-16-28(19-12-14-21(15-13-19)30(31)32)24(25-18-8-4-2-5-9-18)26-23(22)29(27-17)20-10-6-3-7-11-20/h2-16H,1H3/b25-24+
InChIKey FJBSULFNAGPMIK-OCOZRVBESA-N
Molecular Weight 422.448 g/mol
SMILES C12=N\C(=N/c3ccccc3)N(C=C1C(C)=NN2c1ccccc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-001r-2920000000-0ae53071f56000b646c8
Source of Spectrum J-53-4659-15
Wiley ID 1378621