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Diisopropyl{2-[2-amino-6-(4-benzylpiperazine-1-yl)-7H-purine-7-yl]ethoxy}methylphosphonate
SpectraBase Compound ID 39NFvej8TNq
InChI InChI=1S/C25H38N7O4P/c1-19(2)35-37(33,36-20(3)4)18-34-15-14-32-17-27-23-22(32)24(29-25(26)28-23)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 AGDFPROAQFAHBS-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 5QE3EDYdPui
Name Diisopropyl{2-[2-amino-6-(4-benzylpiperazine-1-yl)-7H-purine-7-yl]ethoxy}methylphosphonate
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Formula C25H38N7O4P
InChI InChI=1S/C25H38N7O4P/c1-19(2)35-37(33,36-20(3)4)18-34-15-14-32-17-27-23-22(32)24(29-25(26)28-23)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 AGDFPROAQFAHBS-UHFFFAOYSA-N
Molecular Weight 531.598 g/mol
SMILES Nc1nc2c(c(n1)N1CCN(CC1)Cc1ccccc1)[n](cn2)CCOCP(=O)(OC(C)C)OC(C)C
SPLASH splash10-0f6x-4906010000-043a612c0ee1705da7e6
Source of Spectrum F-69-689-10c
Synonyms Diisopropyl ((2-(2-amino-6-(4-benzylpiperazin-1-yl)-7H-purin-7-yl)ethoxy)methyl)phosphonate
Wiley ID 1737678