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9-Benzyl-2-phenyl-6-cyclooctylamino-8-azaadenine
SpectraBase Compound ID 37WiWKCq2oI
InChI InChI=1S/C25H28N6/c1-2-10-16-21(17-11-3-1)26-24-22-25(28-23(27-24)20-14-8-5-9-15-20)31(30-29-22)18-19-12-6-4-7-13-19/h4-9,12-15,21H,1-3,10-11,16-18H2,(H,26,27,28)
InChIKey XZPTXCIHNDBMMB-UHFFFAOYSA-N
Mol Weight 412.54 g/mol
Molecular Formula C25H28N6
Exact Mass 412.237545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fiticGp2k2
Name 9-Benzyl-2-phenyl-6-cyclooctylamino-8-azaadenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N6
InChI InChI=1S/C25H28N6/c1-2-10-16-21(17-11-3-1)26-24-22-25(28-23(27-24)20-14-8-5-9-15-20)31(30-29-22)18-19-12-6-4-7-13-19/h4-9,12-15,21H,1-3,10-11,16-18H2,(H,26,27,28)
InChIKey XZPTXCIHNDBMMB-UHFFFAOYSA-N
Molecular Weight 412.541 g/mol
SMILES N(c1c2c([n](nn2)Cc2ccccc2)nc(n1)-c1ccccc1)C1CCCCCCC1
SPLASH splash10-0006-9031100000-752c52db3dcf3cbf9130
Source of Spectrum EMC-38-988-18
Synonyms 3-Benzyl-N-cyclooctyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Wiley ID 1737099