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6-Cyclohexylamino-9-(2-hydroxy-3-pentyl)-2-phenyl-8-azapurine
SpectraBase Compound ID AywkA1Qqohj
InChI InChI=1S/C21H28N6O/c1-3-17(14(2)28)27-21-18(25-26-27)20(22-16-12-8-5-9-13-16)23-19(24-21)15-10-6-4-7-11-15/h4,6-7,10-11,14,16-17,28H,3,5,8-9,12-13H2,1-2H3,(H,22,23,24)
InChIKey YHCQZZXPEOCQAE-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H28N6O
Exact Mass 380.23246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQuNAlpqlun
Name 6-Cyclohexylamino-9-(2-hydroxy-3-pentyl)-2-phenyl-8-azapurine
Alternate Name(s) 3-(7-(cyclohexylamino)-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)pentan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N6O
InChI InChI=1S/C21H28N6O/c1-3-17(14(2)28)27-21-18(25-26-27)20(22-16-12-8-5-9-13-16)23-19(24-21)15-10-6-4-7-11-15/h4,6-7,10-11,14,16-17,28H,3,5,8-9,12-13H2,1-2H3,(H,22,23,24)
InChIKey YHCQZZXPEOCQAE-UHFFFAOYSA-N
Molecular Weight 380.496 g/mol
SMILES N(c1c2c([n](C(C(O)C)CC)nn2)nc(n1)-c1ccccc1)C1CCCCC1
SPLASH splash10-0007-9520000000-7067fcf9297371d3a787
Source of Spectrum EMC-38-807-27
Wiley ID 1734834