(4-methylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium iodide

Systemtic Name: (4-methylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium iodide Openeye Name: (4-methylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium iodide CAS Name: [4-(methylthio)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium iodide IUPAC Name: (4-methylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphanium iodide Traditional Name: [6-keto-4-(methylthio)-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C29H24IN2OPS MolecularWeight: 606.456891

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CSC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C29H23N2OPS.HI/c1-34-29-26(28(32)30-27(31-29)22-14-6-2-7-15-22)33(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21H,1H3;1H