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Diisopropyl{2-[(6-cyclohexylamino)-2-amino-9H-purine-9-yl]ethoxy}methyl-phosphonate
SpectraBase Compound ID 4JRHmdvdxrX
InChI InChI=1S/C20H35N6O4P/c1-14(2)29-31(27,30-15(3)4)13-28-11-10-26-12-22-17-18(24-20(21)25-19(17)26)23-16-8-6-5-7-9-16/h12,14-16H,5-11,13H2,1-4H3,(H3,21,23,24,25)
InChIKey JBRNUPFKXBZBOQ-UHFFFAOYSA-N
Mol Weight 454.5 g/mol
Molecular Formula C20H35N6O4P
Exact Mass 454.245741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iWEtuR3wJn
Name Diisopropyl{2-[(6-cyclohexylamino)-2-amino-9H-purine-9-yl]ethoxy}methyl-phosphonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.245740625 u
Formula C20H35N6O4P
InChI InChI=1S/C20H35N6O4P/c1-14(2)29-31(27,30-15(3)4)13-28-11-10-26-12-22-17-18(24-20(21)25-19(17)26)23-16-8-6-5-7-9-16/h12,14-16H,5-11,13H2,1-4H3,(H3,21,23,24,25)
InChIKey JBRNUPFKXBZBOQ-UHFFFAOYSA-N
Molecular Weight 454.512 g/mol
SMILES C1=2C(=NC(N)=NC2NC2CCCCC2)N(CCOCP(=O)(OC(C)C)OC(C)C)C=N1