2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

SpectraBase Compound ID	3rnQpwJsZ6M
InChI	InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-6-4-3-5-7-14)21(25-19)32-13-17(29)24-16-10-8-15(23)9-11-16/h3-11H,12-13H2,1-2H3,(H,24,29)
InChIKey	HLOXXJUVDHNOPP-UHFFFAOYSA-N Google Search
Mol Weight	453.49 g/mol
Molecular Formula	C22H20FN5O3S
Exact Mass	453.127089 g/mol

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SpectraBase Spectrum ID	2r7OIluJXd0
Name	2-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(4-fluorophenyl)acetamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H20FN5O3S
InChI	InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-6-4-3-5-7-14)21(25-19)32-13-17(29)24-16-10-8-15(23)9-11-16/h3-11H,12-13H2,1-2H3,(H,24,29)
InChIKey	HLOXXJUVDHNOPP-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)c1ccc(cc1)F
SPLASH	splash10-0006-9211000000-1eb710963c110e0c8d2a
Synonyms	2-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(4-fluorophenyl)acetamide 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-N-(4-fluorophenyl)ethanamide 2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]-N-(4-fluorophenyl)acetamide
Wiley ID	1445674