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

Systemtic Name: (1-methyl-4-methylsulfanyl-6-oxidanylidene-2-phenyl-pyrimidin-5-yl)-triphenyl-phosphanium iodide Openeye Name: (1-methyl-4-methylsulfanyl-6-oxo-2-phenyl-pyrimidin-5-yl)-triphenyl-phosphonium iodide CAS Name: [1-methyl-4-(methylthio)-6-oxo-2-phenyl-5-pyrimidinyl]-triphenylphosphonium iodide IUPAC Name: (1-methyl-4-methylsulfanyl-6-oxo-2-phenylpyrimidin-5-yl)-triphenylphosphanium iodide Traditional Name: [6-keto-1-methyl-4-(methylthio)-2-phenyl-pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C30H26IN2OPS MolecularWeight: 620.483471

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=C(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC)C5=CC=CC=C5.[I-]

Isomeric SMILES

CN1C(=NC(=C(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C30H26N2OPS.HI/c1-32-28(23-15-7-3-8-16-23)31-29(35-2)27(30(32)33)34(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26;/h3-22H,1-2H3;1H/q+1;/p-1