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6-[(2-propenyl)imino]-3-methyl-1-phenyl-5-(4-methylphenyl)-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 3EGfhajm3O
InChI InChI=1S/C22H21N5/c1-4-14-23-22-24-21-20(15-26(22)18-12-10-16(2)11-13-18)17(3)25-27(21)19-8-6-5-7-9-19/h4-13,15H,1,14H2,2-3H3/b23-22+
InChIKey KSSITSBWKRDXMS-GHVJWSGMSA-N
Mol Weight 355.45 g/mol
Molecular Formula C22H21N5
Exact Mass 355.179696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tcYdVhV50D
Name 6-[(2-propenyl)imino]-3-methyl-1-phenyl-5-(4-methylphenyl)-5,6-dihydro-1H-pyrazolo[3,4-d]pyrimidine
CAS Registry Number 115437-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5
InChI InChI=1S/C22H21N5/c1-4-14-23-22-24-21-20(15-26(22)18-12-10-16(2)11-13-18)17(3)25-27(21)19-8-6-5-7-9-19/h4-13,15H,1,14H2,2-3H3/b23-22+
InChIKey KSSITSBWKRDXMS-GHVJWSGMSA-N
Molecular Weight 355.445 g/mol
SMILES C12=N\C(=N/CC=C)N(C=C2C(C)=NN1c1ccccc1)c1ccc(cc1)C
SPLASH splash10-004i-9500000000-b88fc0f4d41b4ea1babc
Source of Spectrum J-53-4659-14
Synonyms N-[(6Z)-3-methyl-5-(4-methylphenyl)-1-phenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]-2-propen-1-amine N-[(6Z)-3-methyl-5-(4-methylphenyl)-1-phenyl-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-ylidene]-N-[(Z)-2-propenyl]amine
Wiley ID 1345371