For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pyrimidine-5-carbonitrile, 3,4-dihydro-4-oxo-6-phenyl-3-propyl-2-propylthio-
SpectraBase Compound ID CJ7WbjdOo9F
InChI InChI=1S/C17H19N3OS/c1-3-10-20-16(21)14(12-18)15(13-8-6-5-7-9-13)19-17(20)22-11-4-2/h5-9H,3-4,10-11H2,1-2H3
InChIKey KCWZIIKYAVLZHR-UHFFFAOYSA-N
Mol Weight 313.42 g/mol
Molecular Formula C17H19N3OS
Exact Mass 313.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Gpmwr3obwUt
Name Pyrimidine-5-carbonitrile, 3,4-dihydro-4-oxo-6-phenyl-3-propyl-2-propylthio-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3OS
InChI InChI=1S/C17H19N3OS/c1-3-10-20-16(21)14(12-18)15(13-8-6-5-7-9-13)19-17(20)22-11-4-2/h5-9H,3-4,10-11H2,1-2H3
InChIKey KCWZIIKYAVLZHR-UHFFFAOYSA-N
Molecular Weight 313.419 g/mol
SMILES C=1(C(N(CCC)C(=NC1c1ccccc1)SCCC)=O)C#N
SPLASH splash10-00di-1390000000-199ab76b4290a0b481b4
Source of Spectrum AD-0-2532-0
Synonyms 6-keto-4-phenyl-1-propyl-2-(propylthio)pyrimidine-5-carbonitrile 6-Oxidanylidene-4-phenyl-1-propyl-2-propylsulfanyl-pyrimidine-5-carbonitrile 6-Oxo-4-phenyl-1-propyl-2-(propylsulfanyl)-1,6-dihydro-5-pyrimidinecarbonitrile 6-Oxo-4-phenyl-1-propyl-2-(propylthio)-5-pyrimidinecarbonitrile 6-Oxo-4-phenyl-1-propyl-2-propylsulfanyl-pyrimidine-5-carbonitrile
Wiley ID 1433580