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

Systemtic Name: (2-methyl-4-oxidanylidene-6-sulfanyl-1,3-diazinan-5-yl)-triphenyl-phosphanium perchlorate Openeye Name: (2-methyl-4-oxo-6-sulfanyl-hexahydropyrimidin-5-yl)-triphenyl-phosphonium perchlorate CAS Name: (4-mercapto-2-methyl-6-oxo-1,3-diazinan-5-yl)-triphenylphosphonium perchlorate IUPAC Name: (2-methyl-4-oxo-6-sulfanyl-1,3-diazinan-5-yl)-triphenylphosphanium perchlorate Traditional Name: (4-keto-6-mercapto-2-methyl-hexahydropyrimidin-5-yl)-triphenyl-phosphonium perchlorate Formula: C23H24ClN2O5PS MolecularWeight: 506.938821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1NC(C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1NC(C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H23N2OPS.ClHO4/c1-17-24-22(26)21(23(28)25-17)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;2-1(3,4)5/h2-17,21,23,25H,1H3,(H-,24,26,28);(H,2,3,4,5)