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4,7-Diamino-2-[(2-chlorobenzyl)sulfanyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
SpectraBase Compound ID 9eFPglMC4D4
InChI InChI=1S/C22H15ClF3N5OS/c23-15-4-2-1-3-12(15)10-33-21-30-18(28)17-16(14(9-27)19(29)32-20(17)31-21)11-5-7-13(8-6-11)22(24,25)26/h1-8,16H,10,29H2,(H2,28,30,31)
InChIKey HYRZBEXVQWSXGY-UHFFFAOYSA-N
Mol Weight 489.9 g/mol
Molecular Formula C22H15ClF3N5OS
Exact Mass 489.063793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95VzjjxMkOB
Name 4,7-Diamino-2-[(2-chlorobenzyl)sulfanyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15ClF3N5OS
InChI InChI=1S/C22H15ClF3N5OS/c23-15-4-2-1-3-12(15)10-33-21-30-18(28)17-16(14(9-27)19(29)32-20(17)31-21)11-5-7-13(8-6-11)22(24,25)26/h1-8,16H,10,29H2,(H2,28,30,31)
InChIKey HYRZBEXVQWSXGY-UHFFFAOYSA-N
Molecular Weight 489.904 g/mol
SMILES Nc1nc(nc2OC(=C(C(c12)c1ccc(C(F)(F)F)cc1)C#N)N)SCc1ccccc1Cl
SPLASH splash10-002u-4512900000-a8b935ce052c99a4e0a1
Synonyms 4,7-bis(azanyl)-2-[(2-chlorophenyl)methylsulfanyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-[(2-chlorobenzyl)thio]-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-[(2-chlorophenyl)methylsulfanyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-[(2-chlorophenyl)methylthio]-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Wiley ID 1512411