(5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylphosphonic acid

Systemtic Name: (5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylphosphonic acid Openeye Name: (5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylphosphonic acid CAS Name: (5-hexyl-7-pyrazolo[1,5-a]pyrimidinyl)methylphosphonic acid IUPAC Name: (5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylphosphonic acid Traditional Name: (5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylphosphonic acid Formula: C13H20N3O3P MolecularWeight: 297.289961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=CC=NN2C(=C1)CP(=O)(O)O

Isomeric SMILES

CCCCCCC1=NC2=CC=NN2C(=C1)CP(=O)(O)O

InChI

InChI=1S/C13H20N3O3P/c1-2-3-4-5-6-11-9-12(10-20(17,18)19)16-13(15-11)7-8-14-16/h7-9H,2-6,10H2,1H3,(H2,17,18,19)