ethyl 2-diethoxyphosphoryl-2-(5-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethanoate

Systemtic Name: ethyl 2-diethoxyphosphoryl-2-(5-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)ethanoate Openeye Name: ethyl 2-diethoxyphosphoryl-2-[5-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]acetate CAS Name: 2-diethoxyphosphoryl-2-[5-(3-thiophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-diethoxyphosphoryl-2-(5-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)acetate Traditional Name: 2-diethoxyphosphoryl-2-[5-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]acetic acid ethyl ester Formula: C18H22N3O5PS MolecularWeight: 423.423141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=NC2=CC=NN21)C3=CSC=C3)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC(=NC2=CC=NN21)C3=CSC=C3)P(=O)(OCC)OCC

InChI

InChI=1S/C18H22N3O5PS/c1-4-24-18(22)17(27(23,25-5-2)26-6-3)15-11-14(13-8-10-28-12-13)20-16-7-9-19-21(15)16/h7-12,17H,4-6H2,1-3H3