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5-(4-CHLOROPHENYL)-6-CYANO-2-METHYLSULFANYL-7-PHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID LMwdGxruFJT
InChI InChI=1S/C21H15ClN4OS/c1-28-21-25-19-17(20(27)26-21)16(12-7-9-14(22)10-8-12)15(11-23)18(24-19)13-5-3-2-4-6-13/h2-10,16H,1H3,(H2,24,25,26,27)
InChIKey ORBVFRXBEXXKBK-UHFFFAOYSA-N
Mol Weight 406.89 g/mol
Molecular Formula C21H15ClN4OS
Exact Mass 406.06551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCyevp6R10o
Name 5-(4-Chlorophenyl)-2-(methylthio)-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
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Formula C21H15ClN4OS
InChI InChI=1S/C21H15ClN4OS/c1-28-21-25-19-17(20(27)26-21)16(12-7-9-14(22)10-8-12)15(11-23)18(24-19)13-5-3-2-4-6-13/h2-10,16H,1H3,(H2,24,25,26,27)
InChIKey ORBVFRXBEXXKBK-UHFFFAOYSA-N
Molecular Weight 406.891 g/mol
SMILES N1C(C2=C(N=C1SC)NC(=C(C2c1ccc(cc1)Cl)C#N)c1ccccc1)=O
SPLASH splash10-0002-0090000000-332c64fc8a3a17b69dbc
Source of Spectrum AJ-43-304-5
Synonyms 5-(4-Chlorophenyl)-2-methylsulfanyl-4-oxidanylidene-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile 5-(4-Chlorophenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile 5-(4-Chlorophenyl)-4-keto-2-(methylthio)-7-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
Wiley ID 1593868