[4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-6-[(4-methylphenyl)amino]pyrimidin-5-yl]-triphenyl-phosphanium perchlorate

Systemtic Name: [4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-6-[(4-methylphenyl)amino]pyrimidin-5-yl]-triphenyl-phosphanium perchlorate Openeye Name: [4-(2-methoxy-2-oxo-ethyl)sulfanyl-6-(4-methylanilino)pyrimidin-5-yl]-triphenyl-phosphonium perchlorate CAS Name: [4-[(2-methoxy-2-oxoethyl)thio]-6-(4-methylanilino)-5-pyrimidinyl]-triphenylphosphonium perchlorate IUPAC Name: [4-(2-methoxy-2-oxoethyl)sulfanyl-6-(4-methylanilino)pyrimidin-5-yl]-triphenylphosphanium perchlorate Traditional Name: [4-[(2-keto-2-methoxy-ethyl)thio]-6-(p-toluidino)pyrimidin-5-yl]-triphenyl-phosphonium perchlorate Formula: C32H29ClN3O6PS MolecularWeight: 650.080921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)SCC(=O)OC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)SCC(=O)OC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C32H29N3O2PS.ClHO4/c1-24-18-20-25(21-19-24)35-31-30(32(34-23-33-31)39-22-29(36)37-2)38(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;2-1(3,4)5/h3-21,23H,22H2,1-2H3,(H,33,34,35);(H,2,3,4,5)/q+1;/p-1