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6-[(4-chlorophenyl)imino]-3-methyl-1,5-diphenyl-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID HpX1tzOAy8B
InChI InChI=1S/C24H18ClN5/c1-17-22-16-29(20-8-4-2-5-9-20)24(26-19-14-12-18(25)13-15-19)27-23(22)30(28-17)21-10-6-3-7-11-21/h2-16H,1H3/b26-24+
InChIKey KXPXGYZTEKKNCR-SHHOIMCASA-N
Mol Weight 411.9 g/mol
Molecular Formula C24H18ClN5
Exact Mass 411.125073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60jxJIZlj1C
Name 6-[(4-chlorophenyl)imino]-3-methyl-1,5-diphenyl-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
CAS Registry Number 114362-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18ClN5
InChI InChI=1S/C24H18ClN5/c1-17-22-16-29(20-8-4-2-5-9-20)24(26-19-14-12-18(25)13-15-19)27-23(22)30(28-17)21-10-6-3-7-11-21/h2-16H,1H3/b26-24+
InChIKey KXPXGYZTEKKNCR-SHHOIMCASA-N
Molecular Weight 411.896 g/mol
SMILES C12=N\C(=N/c3ccc(cc3)Cl)N(C=C1C(C)=NN2c1ccccc1)c1ccccc1
SPLASH splash10-03di-4000900000-011a74c26ee8c5d34f25
Source of Spectrum J-53-4659-14
Synonyms 4-Chloro-N-[(6Z)-3-methyl-1,5-diphenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]aniline N-(4-chlorophenyl)-N-[(6Z)-3-methyl-1,5-diphenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]amine
Wiley ID 1374137