3-methylsulfanylpentan-3-yl-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxy-phosphinic acid

Systemtic Name: 3-methylsulfanylpentan-3-yl-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxy-phosphinic acid Openeye Name: (1-ethyl-1-methylsulfanyl-propyl)-[5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-phosphinic acid CAS Name: 3-(methylthio)pentan-3-yl-[(5-thiophen-2-yl-7-pyrazolo[1,5-a]pyrimidinyl)oxy]phosphinic acid IUPAC Name: 3-methylsulfanylpentan-3-yl-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxyphosphinic acid Traditional Name: [1-ethyl-1-(methylthio)propyl]-[5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-phosphinic acid Formula: C16H20N3O3PS2 MolecularWeight: 397.452061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(P(=O)(O)OC1=CC(=NC2=CC=NN21)C3=CC=CS3)SC

Isomeric SMILES

CCC(CC)(P(=O)(O)OC1=CC(=NC2=CC=NN21)C3=CC=CS3)SC

InChI

InChI=1S/C16H20N3O3PS2/c1-4-16(5-2,24-3)23(20,21)22-15-11-12(13-7-6-10-25-13)18-14-8-9-17-19(14)15/h6-11H,4-5H2,1-3H3,(H,20,21)