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4,7-Diamino-5-(3-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
SpectraBase Compound ID 7ML0r3Q6aHV
InChI InChI=1S/C15H12FN5OS/c1-23-15-20-12(18)11-10(7-3-2-4-8(16)5-7)9(6-17)13(19)22-14(11)21-15/h2-5,10H,19H2,1H3,(H2,18,20,21)
InChIKey XFYHRDHSEZFZMX-UHFFFAOYSA-N
Mol Weight 329.35 g/mol
Molecular Formula C15H12FN5OS
Exact Mass 329.074659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPyvvjt82sW
Name 4,7-Diamino-5-(3-fluorophenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12FN5OS
InChI InChI=1S/C15H12FN5OS/c1-23-15-20-12(18)11-10(7-3-2-4-8(16)5-7)9(6-17)13(19)22-14(11)21-15/h2-5,10H,19H2,1H3,(H2,18,20,21)
InChIKey XFYHRDHSEZFZMX-UHFFFAOYSA-N
Molecular Weight 329.353 g/mol
SMILES Nc1c2c(OC(=C(C2c2cccc(c2)F)C#N)N)nc(n1)SC
SPLASH splash10-001i-9781000000-353c4e8780932dcd78eb
Synonyms 4,7-bis(azanyl)-5-(3-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-5-(3-fluorophenyl)-2-(methylthio)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 5H-Pyrano[2,3-d]pyrimidine-6-carbonitrile, 4,7-diamino-5-(3-fluorophenyl)-2-(methylthio)-
Wiley ID 1449350