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4-methylene-5-(methylthio)-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidin-2-one
SpectraBase Compound ID 3S9p7gdOMXq
InChI InChI=1S/C20H16N4OS/c1-13-16-18(23-20(25)24(13)15-11-7-4-8-12-15)21-17(22-19(16)26-2)14-9-5-3-6-10-14/h3-12H,1H2,2H3,(H,21,22,23,25)
InChIKey LLGWJUKNZBNLAS-UHFFFAOYSA-N
Mol Weight 360.44 g/mol
Molecular Formula C20H16N4OS
Exact Mass 360.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZ4efnK0rhl
Name 4-methylene-5-(methylthio)-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C20H16N4OS
InChI InChI=1S/C20H16N4OS/c1-13-16-18(23-20(25)24(13)15-11-7-4-8-12-15)21-17(22-19(16)26-2)14-9-5-3-6-10-14/h3-12H,1H2,2H3,(H,21,22,23,25)
InChIKey LLGWJUKNZBNLAS-UHFFFAOYSA-N
Molecular Weight 360.435 g/mol
SMILES N1c2nc(nc(c2C(N(C1=O)c1ccccc1)=C)SC)-c1ccccc1
SPLASH splash10-01ot-0009000000-b5919a6c00ba17dc8167
Source of Spectrum F9-1995-1327-14
Synonyms 4-methylene-5-methylsulfanyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidin-2-one 4-methylidene-5-methylsulfanyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidin-2-one
Wiley ID 1567005