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

Systemtic Name: pentan-3-yl-(5-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxy-phosphinic acid Openeye Name: 1-ethylpropyl-[5-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-phosphinic acid CAS Name: pentan-3-yl-[[5-(3-thiophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]oxy]phosphinic acid IUPAC Name: pentan-3-yl-(5-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxyphosphinic acid Traditional Name: 1-ethylpropyl-[5-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-phosphinic acid Formula: C15H18N3O3PS MolecularWeight: 351.360481

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)P(=O)(O)OC1=CC(=NC2=CC=NN21)C3=CSC=C3

Isomeric SMILES

CCC(CC)P(=O)(O)OC1=CC(=NC2=CC=NN21)C3=CSC=C3

InChI

InChI=1S/C15H18N3O3PS/c1-3-12(4-2)22(19,20)21-15-9-13(11-6-8-23-10-11)17-14-5-7-16-18(14)15/h5-10,12H,3-4H2,1-2H3,(H,19,20)