4,7-Diamino-2-[(2-chlorobenzyl)sulfanyl]-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

SpectraBase Compound ID	1miEro7g6fU
InChI	InChI=1S/C21H15ClFN5OS/c22-15-4-2-1-3-12(15)10-30-21-27-18(25)17-16(11-5-7-13(23)8-6-11)14(9-24)19(26)29-20(17)28-21/h1-8,16H,10,26H2,(H2,25,27,28)
InChIKey	PPGRKLAFOSIMLB-UHFFFAOYSA-N Google Search
Mol Weight	439.9 g/mol
Molecular Formula	C21H15ClFN5OS
Exact Mass	439.066987 g/mol

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SpectraBase Spectrum ID	9xt2lz7zrO4
Name	4,7-Diamino-2-[(2-chlorobenzyl)sulfanyl]-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H15ClFN5OS
InChI	InChI=1S/C21H15ClFN5OS/c22-15-4-2-1-3-12(15)10-30-21-27-18(25)17-16(11-5-7-13(23)8-6-11)14(9-24)19(26)29-20(17)28-21/h1-8,16H,10,26H2,(H2,25,27,28)
InChIKey	PPGRKLAFOSIMLB-UHFFFAOYSA-N
Molecular Weight	439.896 g/mol
SMILES	Nc1nc(nc2OC(=C(C(c12)c1ccc(cc1)F)C#N)N)SCc1ccccc1Cl
SPLASH	splash10-004i-9820000000-b7f952ce732d559bb03f
Synonyms	4,7-bis(azanyl)-2-[(2-chlorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-[(2-chlorobenzyl)thio]-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-[(2-chlorophenyl)methylthio]-5-(4-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Wiley ID	1512405