(4-methylsulfanyl-6-piperidin-1-yl-2-thiophen-2-yl-pyrimidin-5-yl)-triphenyl-phosphanium

Systemtic Name: (4-methylsulfanyl-6-piperidin-1-yl-2-thiophen-2-yl-pyrimidin-5-yl)-triphenyl-phosphanium Openeye Name: [4-methylsulfanyl-6-(1-piperidyl)-2-(2-thienyl)pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-(methylthio)-6-(1-piperidinyl)-2-thiophen-2-yl-5-pyrimidinyl]-triphenylphosphonium IUPAC Name: (4-methylsulfanyl-6-piperidin-1-yl-2-thiophen-2-ylpyrimidin-5-yl)-triphenylphosphanium Traditional Name: [4-(methylthio)-6-piperidino-2-(2-thienyl)pyrimidin-5-yl]-triphenyl-phosphonium Formula: C32H31N3PS2+ MolecularWeight: 552.712401

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5CCCCC5)C6=CC=CS6

Isomeric SMILES

CSC1=NC(=NC(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5CCCCC5)C6=CC=CS6

InChI

InChI=1S/C32H31N3PS2/c1-37-32-29(31(35-22-12-5-13-23-35)33-30(34-32)28-21-14-24-38-28)36(25-15-6-2-7-16-25,26-17-8-3-9-18-26)27-19-10-4-11-20-27/h2-4,6-11,14-21,24H,5,12-13,22-23H2,1H3/q+1