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

Systemtic Name: [1-(2-acetyloxyethoxymethyl)-4-methylsulfanyl-6-oxidanylidene-2-phenyl-pyrimidin-5-yl]-triphenyl-phosphanium perchlorate Openeye Name: [1-(2-acetoxyethoxymethyl)-4-methylsulfanyl-6-oxo-2-phenyl-pyrimidin-5-yl]-triphenyl-phosphonium perchlorate CAS Name: [1-(2-acetyloxyethoxymethyl)-4-(methylthio)-6-oxo-2-phenyl-5-pyrimidinyl]-triphenylphosphonium perchlorate IUPAC Name: [1-(2-acetyloxyethoxymethyl)-4-methylsulfanyl-6-oxo-2-phenylpyrimidin-5-yl]-triphenylphosphanium perchlorate Traditional Name: [1-(2-acetoxyethoxymethyl)-6-keto-4-(methylthio)-2-phenyl-pyrimidin-5-yl]-triphenyl-phosphonium perchlorate Formula: C34H32ClN2O8PS MolecularWeight: 695.118241

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C(=NC(=C(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)OCCOCN1C(=NC(=C(C1=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C34H32N2O4PS.ClHO4/c1-26(37)40-24-23-39-25-36-32(27-15-7-3-8-16-27)35-33(42-2)31(34(36)38)41(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30;2-1(3,4)5/h3-22H,23-25H2,1-2H3;(H,2,3,4,5)/q+1;/p-1