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9-Benzyl-2-phenyl-6-cycloheptylamino-8-azaadenine
SpectraBase Compound ID HPQc3BYKzNR
InChI InChI=1S/C24H26N6/c1-2-10-16-20(15-9-1)25-23-21-24(27-22(26-23)19-13-7-4-8-14-19)30(29-28-21)17-18-11-5-3-6-12-18/h3-8,11-14,20H,1-2,9-10,15-17H2,(H,25,26,27)
InChIKey YQEIIQQQZHZYGX-UHFFFAOYSA-N
Mol Weight 398.51 g/mol
Molecular Formula C24H26N6
Exact Mass 398.221895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Vk8KkzJpsw
Name 9-Benzyl-2-phenyl-6-cycloheptylamino-8-azaadenine
Alternate Name(s) 3-Benzyl-N-cycloheptyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N6
InChI InChI=1S/C24H26N6/c1-2-10-16-20(15-9-1)25-23-21-24(27-22(26-23)19-13-7-4-8-14-19)30(29-28-21)17-18-11-5-3-6-12-18/h3-8,11-14,20H,1-2,9-10,15-17H2,(H,25,26,27)
InChIKey YQEIIQQQZHZYGX-UHFFFAOYSA-N
Molecular Weight 398.514 g/mol
SMILES N(c1c2c([n](nn2)Cc2ccccc2)nc(n1)-c1ccccc1)C1CCCCCC1
SPLASH splash10-0006-9031000000-360d3913c4b5fedae998
Source of Spectrum EMC-38-988-17
Wiley ID 1737100