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

Systemtic Name: (4-ethylsulfanyl-2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl)-triphenyl-phosphanium iodide Openeye Name: (4-ethylsulfanyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)-triphenyl-phosphonium iodide CAS Name: [4-(ethylthio)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium iodide IUPAC Name: (4-ethylsulfanyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)-triphenylphosphanium iodide Traditional Name: [4-(ethylthio)-6-keto-2-methyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C25H24IN2OPS MolecularWeight: 558.414091

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=O)NC(=N1)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CCSC1=C(C(=O)NC(=N1)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C25H23N2OPS.HI/c1-3-30-25-23(24(28)26-19(2)27-25)29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,3H2,1-2H3;1H