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2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
SpectraBase Compound ID Ce6igC3zFKg
InChI InChI=1S/C22H18ClF2N5O3S/c1-28-19-18(20(32)29(2)22(28)33)30(10-12-3-5-13(23)6-4-12)21(27-19)34-11-17(31)26-16-8-7-14(24)9-15(16)25/h3-9H,10-11H2,1-2H3,(H,26,31)
InChIKey LGVIDUIFPJCLQV-UHFFFAOYSA-N
Mol Weight 505.93 g/mol
Molecular Formula C22H18ClF2N5O3S
Exact Mass 505.078695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2auAToeKJTZ
Name 2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClF2N5O3S
InChI InChI=1S/C22H18ClF2N5O3S/c1-28-19-18(20(32)29(2)22(28)33)30(10-12-3-5-13(23)6-4-12)21(27-19)34-11-17(31)26-16-8-7-14(24)9-15(16)25/h3-9H,10-11H2,1-2H3,(H,26,31)
InChIKey LGVIDUIFPJCLQV-UHFFFAOYSA-N
Molecular Weight 505.928 g/mol
SMILES N(C(CSc1nc2c(C(=O)N(C(=O)N2C)C)[n]1Cc1ccc(Cl)cc1)=O)c1c(cc(cc1)F)F
SPLASH splash10-004i-1922010000-968a26f806f1576b447d
Synonyms 2-[[7-(4-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-(2,4-difluorophenyl)acetamide 2-[[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(2,4-difluorophenyl)acetamide N-[2,4-bis(fluoranyl)phenyl]-2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide
Wiley ID 1445389