[4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride

Systemtic Name: [4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride Openeye Name: [4-(2-methoxy-2-oxo-ethyl)sulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride CAS Name: [4-[(2-methoxy-2-oxoethyl)thio]-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium chloride IUPAC Name: [4-(2-methoxy-2-oxoethyl)sulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphanium chloride Traditional Name: [6-keto-4-[(2-keto-2-methoxy-ethyl)thio]-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride Formula: C31H26ClN2O3PS MolecularWeight: 573.041501

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

COC(=O)CSC1=C(C(=O)NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C31H25N2O3PS.ClH/c1-36-27(34)22-38-31-28(30(35)32-29(33-31)23-14-6-2-7-15-23)37(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26;/h2-21H,22H2,1H3;1H