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2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID rZKvJ9DHkA
InChI InChI=1S/C22H19F2N5O3S/c1-27-19-18(20(31)28(2)22(27)32)29(11-13-7-3-4-8-14(13)23)21(26-19)33-12-17(30)25-16-10-6-5-9-15(16)24/h3-10H,11-12H2,1-2H3,(H,25,30)
InChIKey SKAFVIGFUZDOJJ-UHFFFAOYSA-N
Mol Weight 471.48 g/mol
Molecular Formula C22H19F2N5O3S
Exact Mass 471.117667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLSunCC94kE
Name 2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Alternate Name(s) 2-[[7-(2-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-(2-fluorophenyl)acetamide N-(2-fluorophenyl)-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide N-(2-fluorophenyl)-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide N-(2-fluorophenyl)-2-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide
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Formula C22H19F2N5O3S
InChI InChI=1S/C22H19F2N5O3S/c1-27-19-18(20(31)28(2)22(27)32)29(11-13-7-3-4-8-14(13)23)21(26-19)33-12-17(30)25-16-10-6-5-9-15(16)24/h3-10H,11-12H2,1-2H3,(H,25,30)
InChIKey SKAFVIGFUZDOJJ-UHFFFAOYSA-N
Molecular Weight 471.483 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1ccccc1F)C(=O)N(C(=O)N2C)C)=O)c1c(cccc1)F
SPLASH splash10-0a4i-5910000000-f90a8e40926129bdfb16
Wiley ID 1512154