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12-amino-10-{4-[(4-fluorophenyl)methoxy]phenyl}-8-oxo-5-thia-2,7,13-triazatricyclo[7.4.0.0(2,6)]trideca-1(9),3,6,10,12-pentaene-11-carbonitrile
SpectraBase Compound ID K3Px40yJ7MN
InChI InChI=1S/C23H14FN5O2S/c24-15-5-1-13(2-6-15)12-31-16-7-3-14(4-8-16)18-17(11-25)20(26)27-21-19(18)22(30)28-23-29(21)9-10-32-23/h1-10H,12H2,(H2,26,27)
InChIKey WWZKQYGGDZTDHK-UHFFFAOYSA-N
Mol Weight 443.46 g/mol
Molecular Formula C23H14FN5O2S
Exact Mass 443.085224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFegfO4qCN
Name 12-amino-10-{4-[(4-fluorophenyl)methoxy]phenyl}-8-oxo-5-thia-2,7,13-triazatricyclo[7.4.0.0(2,6)]trideca-1(9),3,6,10,12-pentaene-11-carbonitrile
Alternate Name(s) 5H-Pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-3-carbonitrile, 2-amino-4-[4-[(4-fluorophenyl)methoxy]phenyl]-5-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14FN5O2S
InChI InChI=1S/C23H14FN5O2S/c24-15-5-1-13(2-6-15)12-31-16-7-3-14(4-8-16)18-17(11-25)20(26)27-21-19(18)22(30)28-23-29(21)9-10-32-23/h1-10H,12H2,(H2,26,27)
InChIKey WWZKQYGGDZTDHK-UHFFFAOYSA-N
Molecular Weight 443.456 g/mol
SMILES Nc1c(c(-c2ccc(cc2)OCc2ccc(cc2)F)c2c(n1)N1C(=NC2=O)SC=C1)C#N
SPLASH splash10-0a4i-4900000000-dbef74e8ffc29d2fd8a4
Source of Spectrum IY-2-5071-8
Wiley ID 1658701