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2-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID FfDcmAVRDmW
InChI InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-8-4-3-5-9-14)21(25-19)32-13-17(29)24-16-11-7-6-10-15(16)23/h3-11H,12-13H2,1-2H3,(H,24,29)
InChIKey ZXILTMWCZBHWSW-UHFFFAOYSA-N
Mol Weight 453.49 g/mol
Molecular Formula C22H20FN5O3S
Exact Mass 453.127089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zaoMZWcgvM
Name 2-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(2-fluorophenyl)acetamide
Alternate Name(s) 2-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(2-fluorophenyl)acetamide 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-N-(2-fluorophenyl)ethanamide 2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]-N-(2-fluorophenyl)acetamide
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Formula C22H20FN5O3S
InChI InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-8-4-3-5-9-14)21(25-19)32-13-17(29)24-16-11-7-6-10-15(16)23/h3-11H,12-13H2,1-2H3,(H,24,29)
InChIKey ZXILTMWCZBHWSW-UHFFFAOYSA-N
Molecular Weight 453.492 g/mol
SMILES N(C(CSc1[n](c2c(n1)N(C(=O)N(C2=O)C)C)Cc1ccccc1)=O)c1c(cccc1)F
SPLASH splash10-0006-9210000000-be9a4ad7089689098726
Wiley ID 1445677