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4,7-Diamino-5-(5-bromo-2-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
SpectraBase Compound ID 8e6SWqV0GtW
InChI InChI=1S/C15H11BrFN5OS/c1-24-15-21-12(19)11-10(7-4-6(16)2-3-9(7)17)8(5-18)13(20)23-14(11)22-15/h2-4,10H,20H2,1H3,(H2,19,21,22)
InChIKey GPNPTGSXCGGYCJ-UHFFFAOYSA-N
Mol Weight 408.25 g/mol
Molecular Formula C15H11BrFN5OS
Exact Mass 406.985172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FydcP8bGTSC
Name 4,7-Diamino-5-(5-bromo-2-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
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Formula C15H11BrFN5OS
InChI InChI=1S/C15H11BrFN5OS/c1-24-15-21-12(19)11-10(7-4-6(16)2-3-9(7)17)8(5-18)13(20)23-14(11)22-15/h2-4,10H,20H2,1H3,(H2,19,21,22)
InChIKey GPNPTGSXCGGYCJ-UHFFFAOYSA-N
Molecular Weight 408.249 g/mol
SMILES Nc1c2c(OC(=C(C2c2c(ccc(c2)Br)F)C#N)N)nc(n1)SC
SPLASH splash10-001i-5490100000-4408e817fe1818871945
Synonyms 4,7-bis(azanyl)-5-(5-bromanyl-2-fluoranyl-phenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-5-(5-bromo-2-fluoro-phenyl)-2-(methylthio)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-5-(5-bromo-2-fluorophenyl)-2-(methylthio)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-5-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Wiley ID 1512412