[methylsulfanyl-(5-pentylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]phosphonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=CC=NN2C(=C1)C(P(=O)(O)O)SC

Isomeric SMILES

CCCCCC1=NC2=CC=NN2C(=C1)C(P(=O)(O)O)SC

InChI

InChI=1S/C13H20N3O3PS/c1-3-4-5-6-10-9-11(13(21-2)20(17,18)19)16-12(15-10)7-8-14-16/h7-9,13H,3-6H2,1-2H3,(H2,17,18,19)