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Diisopropyl{2-[2-amino-6-(4-benzylpiperazine-1-yl)-9H-purine-9-yl]ethoxy}methylphosphonate
SpectraBase Compound ID GAGXi5Bmvvb
InChI InChI=1S/C25H38N7O4P/c1-19(2)35-37(33,36-20(3)4)18-34-15-14-32-17-27-22-23(28-25(26)29-24(22)32)31-12-10-30(11-13-31)16-21-8-6-5-7-9-21/h5-9,17,19-20H,10-16,18H2,1-4H3,(H2,26,28,29)
InChIKey ZDPJZTHSBMMMBS-UHFFFAOYSA-N
Mol Weight 531.6 g/mol
Molecular Formula C25H38N7O4P
Exact Mass 531.27229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fqn3XQM39dE
Name Diisopropyl{2-[2-amino-6-(4-benzylpiperazine-1-yl)-9H-purine-9-yl]ethoxy}methylphosphonate
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Formula C25H38N7O4P
InChI InChI=1S/C25H38N7O4P/c1-19(2)35-37(33,36-20(3)4)18-34-15-14-32-17-27-22-23(28-25(26)29-24(22)32)31-12-10-30(11-13-31)16-21-8-6-5-7-9-21/h5-9,17,19-20H,10-16,18H2,1-4H3,(H2,26,28,29)
InChIKey ZDPJZTHSBMMMBS-UHFFFAOYSA-N
Molecular Weight 531.598 g/mol
SMILES Nc1nc(c2c(n1)[n](CCOCP(=O)(OC(C)C)OC(C)C)cn2)N1CCN(CC1)Cc1ccccc1
SPLASH splash10-00dm-3914010000-207ee99925e9d0b8f88d
Source of Spectrum F-69-687-9i
Synonyms Diisopropyl ((2-(2-amino-6-(4-benzylpiperazin-1-yl)-9H-purin-9-yl)ethoxy)methyl)phosphonate
Wiley ID 1737690