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2-[[7-(2-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-homoveratryl-acetamide
SpectraBase Compound ID G9QKaRtBirJ
InChI InChI=1S/C26H28FN5O5S/c1-30-23-22(24(34)31(2)26(30)35)32(14-17-7-5-6-8-18(17)27)25(29-23)38-15-21(33)28-12-11-16-9-10-19(36-3)20(13-16)37-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,28,33)
InChIKey FWSVZRJCNNFMSR-UHFFFAOYSA-N
Mol Weight 541.6 g/mol
Molecular Formula C26H28FN5O5S
Exact Mass 541.179518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fd4sD7mAQSI
Name 2-[[7-(2-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-homoveratryl-acetamide
Alternate Name(s) N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide
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Formula C26H28FN5O5S
InChI InChI=1S/C26H28FN5O5S/c1-30-23-22(24(34)31(2)26(30)35)32(14-17-7-5-6-8-18(17)27)25(29-23)38-15-21(33)28-12-11-16-9-10-19(36-3)20(13-16)37-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,28,33)
InChIKey FWSVZRJCNNFMSR-UHFFFAOYSA-N
Molecular Weight 541.598 g/mol
SMILES N(C(CSc1nc2N(C)C(=O)N(C)C(=O)c2[n]1Cc1ccccc1F)=O)CCc1cc(OC)c(OC)cc1
SPLASH splash10-08fr-3900000000-55fbd8707891352258a4
Wiley ID 1445733