(4-methylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium perchlorate

Systemtic Name: (4-methylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphanium perchlorate Openeye Name: (4-methylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenyl-phosphonium perchlorate CAS Name: [4-(methylthio)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]-triphenylphosphonium perchlorate IUPAC Name: (4-methylsulfanyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)-triphenylphosphanium perchlorate Traditional Name: [6-keto-4-(methylthio)-2-phenyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium perchlorate Formula: C29H24ClN2O5PS MolecularWeight: 579.003021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23N2OPS.ClHO4/c1-34-29-26(28(32)30-27(31-29)22-14-6-2-7-15-22)33(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;2-1(3,4)5/h2-21H,1H3;(H,2,3,4,5)