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N-[2-(3,4-diethoxyphenyl)ethyl]-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide
SpectraBase Compound ID HGHnuYDUSBQ
InChI InChI=1S/C28H32FN5O5S/c1-5-38-21-12-11-18(15-22(21)39-6-2)13-14-30-23(35)17-40-27-31-25-24(26(36)33(4)28(37)32(25)3)34(27)16-19-9-7-8-10-20(19)29/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,30,35)
InChIKey KXOYJLNURFVDTH-UHFFFAOYSA-N
Mol Weight 569.7 g/mol
Molecular Formula C28H32FN5O5S
Exact Mass 569.210818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpEBQzJlEgg
Name N-[2-(3,4-diethoxyphenyl)ethyl]-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide
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Formula C28H32FN5O5S
InChI InChI=1S/C28H32FN5O5S/c1-5-38-21-12-11-18(15-22(21)39-6-2)13-14-30-23(35)17-40-27-31-25-24(26(36)33(4)28(37)32(25)3)34(27)16-19-9-7-8-10-20(19)29/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,30,35)
InChIKey KXOYJLNURFVDTH-UHFFFAOYSA-N
Molecular Weight 569.652 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1c(F)cccc1)C(=O)N(C(N2C)=O)C)=O)CCc1cc(OCC)c(cc1)OCC
SPLASH splash10-052f-1900000000-385e5a44fbae5a772d0a
Synonyms N-[2-(3,4-diethoxyphenyl)ethyl]-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[7-(2-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide
Wiley ID 1464259