6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-5-triphenylphosphaniumyl-pyrimidin-4-olate

Systemtic Name: 6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-5-triphenylphosphaniumyl-pyrimidin-4-olate Openeye Name: 6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-methyl-5-triphenylphosphaniumyl-pyrimidin-4-olate CAS Name: 6-[(2-methoxy-2-oxoethyl)thio]-2-methyl-5-triphenylphosphiniumyl-4-pyrimidinolate IUPAC Name: 6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-5-triphenylphosphaniumylpyrimidin-4-olate Traditional Name: 6-[(2-keto-2-methoxy-ethyl)thio]-2-methyl-5-triphenylphosphiniumyl-pyrimidin-4-olate Formula: C26H23N2O3PS MolecularWeight: 474.511181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)SCC(=O)OC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=NC(=C(C(=N1)SCC(=O)OC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C26H23N2O3PS/c1-19-27-25(30)24(26(28-19)33-18-23(29)31-2)32(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18H2,1-2H3