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Diisopropyl{2-[2-amino-6-(piperazine-1-yl)-9H-purine-9-yl]ethoxy}methyl phosphonate
SpectraBase Compound ID 5vvgs2KEn2X
InChI InChI=1S/C18H32N7O4P/c1-13(2)28-30(26,29-14(3)4)12-27-10-9-25-11-21-15-16(22-18(19)23-17(15)25)24-7-5-20-6-8-24/h11,13-14,20H,5-10,12H2,1-4H3,(H2,19,22,23)
InChIKey BLHGLRCPCHNTDH-UHFFFAOYSA-N
Mol Weight 441.5 g/mol
Molecular Formula C18H32N7O4P
Exact Mass 441.22534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iOUyx3JkLC
Name Diisopropyl{2-[2-amino-6-(piperazine-1-yl)-9H-purine-9-yl]ethoxy}methyl phosphonate
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Formula C18H32N7O4P
InChI InChI=1S/C18H32N7O4P/c1-13(2)28-30(26,29-14(3)4)12-27-10-9-25-11-21-15-16(22-18(19)23-17(15)25)24-7-5-20-6-8-24/h11,13-14,20H,5-10,12H2,1-4H3,(H2,19,22,23)
InChIKey BLHGLRCPCHNTDH-UHFFFAOYSA-N
Molecular Weight 441.473 g/mol
SMILES N1CCN(c2nc(nc3c2nc[n]3CCOCP(=O)(OC(C)C)OC(C)C)N)CC1
SPLASH splash10-000x-2209100000-dbdf673ceb039e1aed10
Source of Spectrum F-69-686-9e
Synonyms Diisopropyl ((2-(2-amino-6-(piperazin-1-yl)-9H-purin-9-yl)ethoxy)methyl)phosphonate 9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-6-(1-piperazinyl)-2-purinamine 9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-6-piperazin-1-ylpurin-2-amine 9-[2-(diisopropoxyphosphorylmethoxy)ethyl]-6-piperazin-1-yl-purin-2-amine 9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-6-piperazin-1-yl-purin-2-amine
Wiley ID 1737694