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4,7-Diamino-2-(benzylsulfanyl)-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
SpectraBase Compound ID 5Ckbaolcsh6
InChI InChI=1S/C21H16FN5OS/c22-15-9-5-4-8-13(15)16-14(10-23)19(25)28-20-17(16)18(24)26-21(27-20)29-11-12-6-2-1-3-7-12/h1-9,16H,11,25H2,(H2,24,26,27)
InChIKey WRFFHKCXXWPWSR-UHFFFAOYSA-N
Mol Weight 405.45 g/mol
Molecular Formula C21H16FN5OS
Exact Mass 405.105959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OAN5rn40gO
Name 4,7-Diamino-2-(benzylsulfanyl)-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16FN5OS
InChI InChI=1S/C21H16FN5OS/c22-15-9-5-4-8-13(15)16-14(10-23)19(25)28-20-17(16)18(24)26-21(27-20)29-11-12-6-2-1-3-7-12/h1-9,16H,11,25H2,(H2,24,26,27)
InChIKey WRFFHKCXXWPWSR-UHFFFAOYSA-N
Molecular Weight 405.451 g/mol
SMILES Nc1nc(nc2OC(=C(C(c12)c1c(cccc1)F)C#N)N)SCc1ccccc1
SPLASH splash10-0006-9411100000-21508e7c9ee1f8d3e030
Synonyms 4,7-bis(azanyl)-5-(2-fluorophenyl)-2-(phenylmethylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-2-(benzylthio)-5-(2-fluorophenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile 4,7-Diamino-5-(2-fluorophenyl)-2-(phenylmethylthio)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Wiley ID 1512406