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

Systemtic Name: (2-methyl-6-oxidanylidene-4-propylsulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium iodide Openeye Name: (2-methyl-6-oxo-4-propylsulfanyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium iodide CAS Name: [2-methyl-6-oxo-4-(propylthio)-1H-pyrimidin-5-yl]-triphenylphosphonium iodide IUPAC Name: (2-methyl-6-oxo-4-propylsulfanyl-1H-pyrimidin-5-yl)-triphenylphosphanium iodide Traditional Name: [6-keto-2-methyl-4-(propylthio)-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C26H26IN2OPS MolecularWeight: 572.440671

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=O)NC(=N1)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CCCSC1=C(C(=O)NC(=N1)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C26H25N2OPS.HI/c1-3-19-31-26-24(25(29)27-20(2)28-26)30(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-18H,3,19H2,1-2H3;1H