(4-butylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium iodide

Systemtic Name: (4-butylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium iodide Openeye Name: (4-butylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium iodide CAS Name: [4-(butylthio)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium iodide IUPAC Name: (4-butylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphanium iodide Traditional Name: [4-(butylthio)-6-keto-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C32H30IN2OPS MolecularWeight: 648.536631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CCCCSC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C32H29N2OPS.HI/c1-2-3-24-37-32-29(31(35)33-30(34-32)25-16-8-4-9-17-25)36(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28;/h4-23H,2-3,24H2,1H3;1H