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2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-fluorophenyl)ethanamide
SpectraBase Compound ID EYXVVuV4gv4
InChI InChI=1S/C22H19ClFN5O3S/c1-27-19-18(20(31)28(2)22(27)32)29(11-13-7-9-14(23)10-8-13)21(26-19)33-12-17(30)25-16-6-4-3-5-15(16)24/h3-10H,11-12H2,1-2H3,(H,25,30)
InChIKey GKJOHOXLWREIDY-UHFFFAOYSA-N
Mol Weight 487.94 g/mol
Molecular Formula C22H19ClFN5O3S
Exact Mass 487.088117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7d8V8i2xr75
Name 2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-fluorophenyl)ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClFN5O3S
InChI InChI=1S/C22H19ClFN5O3S/c1-27-19-18(20(31)28(2)22(27)32)29(11-13-7-9-14(23)10-8-13)21(26-19)33-12-17(30)25-16-6-4-3-5-15(16)24/h3-10H,11-12H2,1-2H3,(H,25,30)
InChIKey GKJOHOXLWREIDY-UHFFFAOYSA-N
Molecular Weight 487.937 g/mol
SMILES N(C(CSc1[n](c2C(=O)N(C(=O)N(c2n1)C)C)Cc1ccc(cc1)Cl)=O)c1ccccc1F
SPLASH splash10-004i-6900000000-d567b65730f88e8cdbfe
Synonyms 2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2-fluorophenyl)acetamide 2-[[7-(4-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-(2-fluorophenyl)acetamide 2-[[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(2-fluorophenyl)acetamide
Wiley ID 1445730