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

Systemtic Name: ethyl 2-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-diethoxyphosphoryl-ethanoate Openeye Name: ethyl 2-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-diethoxyphosphoryl-acetate CAS Name: 2-(5-butyl-7-pyrazolo[1,5-a]pyrimidinyl)-2-diethoxyphosphorylacetic acid ethyl ester IUPAC Name: ethyl 2-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-diethoxyphosphorylacetate Traditional Name: 2-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-diethoxyphosphoryl-acetic acid ethyl ester Formula: C18H28N3O5P MolecularWeight: 397.405781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=NN2C(=C1)C(C(=O)OCC)P(=O)(OCC)OCC

Isomeric SMILES

CCCCC1=NC2=CC=NN2C(=C1)C(C(=O)OCC)P(=O)(OCC)OCC

InChI

InChI=1S/C18H28N3O5P/c1-5-9-10-14-13-15(21-16(20-14)11-12-19-21)17(18(22)24-6-2)27(23,25-7-3)26-8-4/h11-13,17H,5-10H2,1-4H3