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1H-Pyrimido[4,5-d]pyrimidin-4-one, 6-benzyl-1-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-
SpectraBase Compound ID A8GjBmaMKiP
InChI InChI=1S/C19H17FN4OS/c20-14-6-8-15(9-7-14)24-17-16(18(25)22-19(24)26)11-23(12-21-17)10-13-4-2-1-3-5-13/h1-9,21H,10-12H2,(H,22,25,26)
InChIKey YOIVGQBYJNARNN-UHFFFAOYSA-N
Mol Weight 368.43 g/mol
Molecular Formula C19H17FN4OS
Exact Mass 368.110711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hvt9dgkjIBA
Name 1H-Pyrimido[4,5-d]pyrimidin-4-one, 6-benzyl-1-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17FN4OS
InChI InChI=1S/C19H17FN4OS/c20-14-6-8-15(9-7-14)24-17-16(18(25)22-19(24)26)11-23(12-21-17)10-13-4-2-1-3-5-13/h1-9,21H,10-12H2,(H,22,25,26)
InChIKey YOIVGQBYJNARNN-UHFFFAOYSA-N
Molecular Weight 368.430 g/mol
SMILES N1C(N(C2=C(C1=O)CN(CN2)Cc1ccccc1)c1ccc(cc1)F)=S
SPLASH splash10-0006-9421000000-3e3e2b1a680156aa1408
Synonyms 1-(4-fluorophenyl)-6-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one 6-Benzyl-1-(4-fluorophenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one 6-Benzyl-1-(4-fluorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one 6-Benzyl-1-(4-fluorophenyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1447708