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

Systemtic Name: (5-pentylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Openeye Name: (5-pentylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid CAS Name: [(5-pentyl-7-pyrazolo[1,5-a]pyrimidinyl)methylthio]methylphosphonic acid IUPAC Name: (5-pentylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Traditional Name: [(5-amylpyrazolo[1,5-a]pyrimidin-7-yl)methylthio]methylphosphonic acid Formula: C13H20N3O3PS MolecularWeight: 329.354961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N3O3PS/c1-2-3-4-5-11-8-12(9-21-10-20(17,18)19)16-13(15-11)6-7-14-16/h6-8H,2-5,9-10H2,1H3,(H2,17,18,19)