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3-Pyridinecarbonitrile, 2-[[(3,4-dihydro-4-oxo-2-quinazolinyl)methyl]thio]-4,6-dimethyl-
SpectraBase Compound ID 6Y3vyAN1M3F
InChI InChI=1S/C17H14N4OS/c1-10-7-11(2)19-17(13(10)8-18)23-9-15-20-14-6-4-3-5-12(14)16(22)21-15/h3-7H,9H2,1-2H3,(H,20,21,22)
InChIKey RXMXCJXZDTUASP-UHFFFAOYSA-N
Mol Weight 322.39 g/mol
Molecular Formula C17H14N4OS
Exact Mass 322.088832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoMysz8nevh
Name 3-Pyridinecarbonitrile, 2-[[(3,4-dihydro-4-oxo-2-quinazolinyl)methyl]thio]-4,6-dimethyl-
Alternate Name(s) 2-[(4-keto-1H-quinazolin-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile 4,6-Dimethyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile 4,6-Dimethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyridine-3-carbonitrile 4,6-Dimethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-pyridinecarbonitrile
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Formula C17H14N4OS
InChI InChI=1S/C17H14N4OS/c1-10-7-11(2)19-17(13(10)8-18)23-9-15-20-14-6-4-3-5-12(14)16(22)21-15/h3-7H,9H2,1-2H3,(H,20,21,22)
InChIKey RXMXCJXZDTUASP-UHFFFAOYSA-N
Molecular Weight 322.386 g/mol
SMILES N1C(=Nc2c(C1=O)cccc2)CSc1nc(cc(c1C#N)C)C
SPLASH splash10-0076-6922000000-6b93160efae0f68fea9e
Wiley ID 1449066