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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-(4-fluorophenyl)acetamide
SpectraBase Compound ID SwqaoCrE9c
InChI InChI=1S/C22H19F2N5O3S/c1-27-19-18(20(31)28(2)22(27)32)29(11-13-5-3-4-6-16(13)24)21(26-19)33-12-17(30)25-15-9-7-14(23)8-10-15/h3-10H,11-12H2,1-2H3,(H,25,30)
InChIKey RCXZYGJFUQFGTI-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 9zX35quiV9L
Name 2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19F2N5O3S
InChI InChI=1S/C22H19F2N5O3S/c1-27-19-18(20(31)28(2)22(27)32)29(11-13-5-3-4-6-16(13)24)21(26-19)33-12-17(30)25-15-9-7-14(23)8-10-15/h3-10H,11-12H2,1-2H3,(H,25,30)
InChIKey RCXZYGJFUQFGTI-UHFFFAOYSA-N
Molecular Weight 471.483 g/mol
SMILES N(C(CSc1[n](c2C(=O)N(C(=O)N(c2n1)C)C)Cc1ccccc1F)=O)c1ccc(cc1)F
SPLASH splash10-0ab9-5933300000-76e79f5020e4d1fedbf4
Synonyms 2-[[7-(2-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-(4-fluorophenyl)acetamide N-(4-fluorophenyl)-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide N-(4-fluorophenyl)-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide N-(4-fluorophenyl)-2-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide
Wiley ID 1512156