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4,12-Dioxo-2-phenyl-10-thioxo-4,10,11,12-tetrahydro-9H-pyrimido[4'',5'':2',3']pyrido[4',5':4,5]pyrimido[1,2-a]pyrimidine-3-carbonitrile
SpectraBase Compound ID CBro5kEFYXT
InChI InChI=1S/C19H9N7O2S/c20-6-11-13(9-4-2-1-3-5-9)22-18-23-14-10(8-26(18)17(11)28)7-21-15-12(14)16(27)25-19(29)24-15/h1-5,7-8H,(H2,24,25,27,29)
InChIKey GERVYYGYTMPJQK-UHFFFAOYSA-N
Mol Weight 399.39 g/mol
Molecular Formula C19H9N7O2S
Exact Mass 399.053844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8B5n6RLmeWE
Name 4,12-Dioxo-2-phenyl-10-thioxo-4,10,11,12-tetrahydro-9H-pyrimido[4'',5'':2',3']pyrido[4',5':4,5]pyrimido[1,2-a]pyrimidine-3-carbonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H9N7O2S
InChI InChI=1S/C19H9N7O2S/c20-6-11-13(9-4-2-1-3-5-9)22-18-23-14-10(8-26(18)17(11)28)7-21-15-12(14)16(27)25-19(29)24-15/h1-5,7-8H,(H2,24,25,27,29)
InChIKey GERVYYGYTMPJQK-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4237
Molecular Weight 399.388 g/mol
SMILES N1C(C=2C3=NC=4N(C=C3C=NC2NC1=S)C(C(=C(N4)c1ccccc1)C#N)=O)=O
SPLASH splash10-0mfr-4930000000-ea549ddf6840501ee79a
Source of Spectrum Y-58-1078-13
Wiley ID 1879387