[4-[(4-methylphenyl)amino]-6-methylsulfanyl-pyrimidin-5-yl]-triphenyl-phosphanium iodide

Systemtic Name: [4-[(4-methylphenyl)amino]-6-methylsulfanyl-pyrimidin-5-yl]-triphenyl-phosphanium iodide Openeye Name: [4-(4-methylanilino)-6-methylsulfanyl-pyrimidin-5-yl]-triphenyl-phosphonium iodide CAS Name: [4-(4-methylanilino)-6-(methylthio)-5-pyrimidinyl]-triphenylphosphonium iodide IUPAC Name: [4-(4-methylanilino)-6-methylsulfanylpyrimidin-5-yl]-triphenylphosphanium iodide Traditional Name: [4-(methylthio)-6-(p-toluidino)pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C30H27IN3PS MolecularWeight: 619.498711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C30H27N3PS.HI/c1-23-18-20-24(21-19-23)33-29-28(30(35-2)32-22-31-29)34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-22H,1-2H3,(H,31,32,33);1H/q+1;/p-1