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

Systemtic Name: (5-pentylpyrazolo[1,5-a]pyrimidin-7-yl)methylphosphonic acid Openeye Name: (5-pentylpyrazolo[1,5-a]pyrimidin-7-yl)methylphosphonic acid CAS Name: (5-pentyl-7-pyrazolo[1,5-a]pyrimidinyl)methylphosphonic acid IUPAC Name: (5-pentylpyrazolo[1,5-a]pyrimidin-7-yl)methylphosphonic acid Traditional Name: (5-amylpyrazolo[1,5-a]pyrimidin-7-yl)methylphosphonic acid Formula: C12H18N3O3P MolecularWeight: 283.263381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=CC=NN2C(=C1)CP(=O)(O)O

Isomeric SMILES

CCCCCC1=NC2=CC=NN2C(=C1)CP(=O)(O)O

InChI

InChI=1S/C12H18N3O3P/c1-2-3-4-5-10-8-11(9-19(16,17)18)15-12(14-10)6-7-13-15/h6-8H,2-5,9H2,1H3,(H2,16,17,18)