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

Systemtic Name: (5-propylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Openeye Name: (5-propylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid CAS Name: [(5-propyl-7-pyrazolo[1,5-a]pyrimidinyl)methylthio]methylphosphonic acid IUPAC Name: (5-propylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Traditional Name: [(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)methylthio]methylphosphonic acid Formula: C11H16N3O3PS MolecularWeight: 301.301801

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=NN2C(=C1)CSCP(=O)(O)O

Isomeric SMILES

CCCC1=NC2=CC=NN2C(=C1)CSCP(=O)(O)O

InChI

InChI=1S/C11H16N3O3PS/c1-2-3-9-6-10(7-19-8-18(15,16)17)14-11(13-9)4-5-12-14/h4-6H,2-3,7-8H2,1H3,(H2,15,16,17)