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5-(4-CHLOROPHENYL)-6-CYANO-3,7-DIMETHYL-2-METHYLSULFANYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 6RCbSWW7fJI
InChI InChI=1S/C17H15ClN4OS/c1-9-12(8-19)13(10-4-6-11(18)7-5-10)14-15(20-9)21-17(24-3)22(2)16(14)23/h4-7,13,20H,1-3H3
InChIKey NHTIJLXZBAJAKI-UHFFFAOYSA-N
Mol Weight 358.85 g/mol
Molecular Formula C17H15ClN4OS
Exact Mass 358.06551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gs4LIoaRpB
Name 5-(p-Chlorophenyl)-6-cyano-3,7-dimethyl-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClN4OS
InChI InChI=1S/C17H15ClN4OS/c1-9-12(8-19)13(10-4-6-11(18)7-5-10)14-15(20-9)21-17(24-3)22(2)16(14)23/h4-7,13,20H,1-3H3
InChIKey NHTIJLXZBAJAKI-UHFFFAOYSA-N
Molecular Weight 358.847 g/mol
SMILES N1C(=C(C(C=2C(N(C(=NC12)SC)C)=O)c1ccc(cc1)Cl)C#N)C
SPLASH splash10-0002-0291000000-0588f45e0ad2d80ed984
Source of Spectrum AJ-43-303-5
Synonyms 5-(4-Chlorophenyl)-3,7-dimethyl-2-(methylsulfanyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile 5-(4-Chlorophenyl)-3,7-dimethyl-2-(methylthio)-4-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile 5-(4-Chlorophenyl)-3,7-dimethyl-2-methylsulfanyl-4-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile 5-(4-Chlorophenyl)-3,7-dimethyl-2-methylsulfanyl-4-oxidanylidene-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Wiley ID 1593879