(1,2-dimethyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-5-yl)-triphenyl-phosphanium iodide

Systemtic Name: (1,2-dimethyl-4-methylsulfanyl-6-oxidanylidene-pyrimidin-5-yl)-triphenyl-phosphanium iodide Openeye Name: (1,2-dimethyl-4-methylsulfanyl-6-oxo-pyrimidin-5-yl)-triphenyl-phosphonium iodide CAS Name: [1,2-dimethyl-4-(methylthio)-6-oxo-5-pyrimidinyl]-triphenylphosphonium iodide IUPAC Name: (1,2-dimethyl-4-methylsulfanyl-6-oxopyrimidin-5-yl)-triphenylphosphanium iodide Traditional Name: [6-keto-1,2-dimethyl-4-(methylthio)pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C25H24IN2OPS MolecularWeight: 558.414091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC.[I-]

Isomeric SMILES

CC1=NC(=C(C(=O)N1C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC.[I-]

InChI

InChI=1S/C25H24N2OPS.HI/c1-19-26-24(30-3)23(25(28)27(19)2)29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,1-3H3;1H/q+1;/p-1