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6-[(3-chlorophenyl)imino]-3-methyl-1-phenyl-5-(4-nitrophenyl)-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 9Nh8Sza2gT
InChI InChI=1S/C24H17ClN6O2/c1-16-22-15-29(19-10-12-21(13-11-19)31(32)33)24(26-18-7-5-6-17(25)14-18)27-23(22)30(28-16)20-8-3-2-4-9-20/h2-15H,1H3/b26-24+
InChIKey WREYBJSQPRPTAJ-SHHOIMCASA-N
Mol Weight 456.89 g/mol
Molecular Formula C24H17ClN6O2
Exact Mass 456.110152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2gzL9RTegk
Name 6-[(3-chlorophenyl)imino]-3-methyl-1-phenyl-5-(4-nitrophenyl)-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
CAS Registry Number 115437-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H17ClN6O2
InChI InChI=1S/C24H17ClN6O2/c1-16-22-15-29(19-10-12-21(13-11-19)31(32)33)24(26-18-7-5-6-17(25)14-18)27-23(22)30(28-16)20-8-3-2-4-9-20/h2-15H,1H3/b26-24+
InChIKey WREYBJSQPRPTAJ-SHHOIMCASA-N
Molecular Weight 456.893 g/mol
SMILES C12=N\C(=N/c3cc(Cl)ccc3)N(C=C1C(C)=NN2c1ccccc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-004i-4940000000-2cfe32bf29a304875bf8
Source of Spectrum J-53-4659-15
Synonyms 3-Chloro-N-[(6Z)-3-methyl-5-(4-nitrophenyl)-1-phenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]aniline N-(3-chlorophenyl)-N-[(6Z)-3-methyl-5-(4-nitrophenyl)-1-phenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]amine
Wiley ID 1389236