[2-methyl-6-oxidanylidene-4-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride

Systemtic Name: [2-methyl-6-oxidanylidene-4-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-triphenyl-phosphanium chloride Openeye Name: (4-benzylsulfanyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)-triphenyl-phosphonium chloride CAS Name: [2-methyl-6-oxo-4-(phenylmethylthio)-1H-pyrimidin-5-yl]-triphenylphosphonium chloride IUPAC Name: (4-benzylsulfanyl-2-methyl-6-oxo-1H-pyrimidin-5-yl)-triphenylphosphanium chloride Traditional Name: [4-(benzylthio)-6-keto-2-methyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium chloride Formula: C30H26ClN2OPS MolecularWeight: 529.032001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C30H25N2OPS.ClH/c1-23-31-29(33)28(30(32-23)35-22-24-14-6-2-7-15-24)34(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;/h2-21H,22H2,1H3;1H