Want to comment
on this record?

{4-[(Cyanomethyl)sulfanyl]-2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl}(triphenyl)phosphonium chloride

ChemSpider ID: 2074150
Molecular Formula: C₂₅H₂₁ClN₃OPS
Average mass: 477.945496 Da
Monoisotopic mass: 477.08316 Da
Systematic name

{4-[(Cyanomethyl)sulfanyl]-2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl}(triphenyl)phosphonium chloride
SMILES and InChIs

SMILES:

[Cl-].O=C1/C(=C(/SCC#N)\N=C(/N1)C)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 Copied

Std. InChI:

InChI=1S/C25H20N3OPS.ClH/c1-19-27-24(29)23(25(28-19)31-18-17-26)30(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16H,18H2,1H3;1H Copied

Std. InChIKey:

KACWJHQQZJYZQZ-UHFFFAOYSA-N Copied
Cite this record
CSID:2074150, http://www.chemspider.com/Chemical-Structure.2074150.html (accessed 03:41, May 22, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

{4-[(cyanomethyl)thio]-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium chloride

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Advertise Sponsor