(4-oxidanylidene-2-phenyl-6-sulfanyl-1,3-diazinan-5-yl)-triphenyl-phosphanium perchlorate

Systemtic Name: (4-oxidanylidene-2-phenyl-6-sulfanyl-1,3-diazinan-5-yl)-triphenyl-phosphanium perchlorate Openeye Name: (4-oxo-2-phenyl-6-sulfanyl-hexahydropyrimidin-5-yl)-triphenyl-phosphonium perchlorate CAS Name: (4-mercapto-6-oxo-2-phenyl-1,3-diazinan-5-yl)-triphenylphosphonium perchlorate IUPAC Name: (4-oxo-2-phenyl-6-sulfanyl-1,3-diazinan-5-yl)-triphenylphosphanium perchlorate Traditional Name: (4-keto-6-mercapto-2-phenyl-hexahydropyrimidin-5-yl)-triphenyl-phosphonium perchlorate Formula: C28H26ClN2O5PS MolecularWeight: 569.008201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2NC(C(C(=O)N2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)S.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2NC(C(C(=O)N2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)S.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H25N2OPS.ClHO4/c31-27-25(28(33)30-26(29-27)21-13-5-1-6-14-21)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3,4)5/h1-20,25-26,28,30H,(H-,29,31,33);(H,2,3,4,5)