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

Systemtic Name: [4-ethylsulfanyl-6-[(4-methylphenyl)amino]pyrimidin-5-yl]-triphenyl-phosphanium iodide Openeye Name: [4-ethylsulfanyl-6-(4-methylanilino)pyrimidin-5-yl]-triphenyl-phosphonium iodide CAS Name: [4-(ethylthio)-6-(4-methylanilino)-5-pyrimidinyl]-triphenylphosphonium iodide IUPAC Name: [4-ethylsulfanyl-6-(4-methylanilino)pyrimidin-5-yl]-triphenylphosphanium iodide Traditional Name: [4-(ethylthio)-6-(p-toluidino)pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C31H29IN3PS MolecularWeight: 633.525291

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=NC(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC5=CC=C(C=C5)C.[I-]

Isomeric SMILES

CCSC1=NC=NC(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC5=CC=C(C=C5)C.[I-]

InChI

InChI=1S/C31H29N3PS.HI/c1-3-36-31-29(30(32-23-33-31)34-25-21-19-24(2)20-22-25)35(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28;/h4-23H,3H2,1-2H3,(H,32,33,34);1H/q+1;/p-1