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

Systemtic Name: (2-methyl-4-methylsulfanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-triphenyl-phosphanium iodide Openeye Name: (2-methyl-4-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-triphenyl-phosphonium iodide CAS Name: [2-methyl-4-(methylthio)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium iodide IUPAC Name: (2-methyl-4-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-triphenylphosphanium iodide Traditional Name: [6-keto-2-methyl-4-(methylthio)-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C24H22IN2OPS MolecularWeight: 544.387511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC.[I-]

Isomeric SMILES

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC.[I-]

InChI

InChI=1S/C24H21N2OPS.HI/c1-18-25-23(27)22(24(26-18)29-2)28(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,1-2H3;1H