[(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-ethylsulfanyl-methyl]phosphonic acid

Systemtic Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-ethylsulfanyl-methyl]phosphonic acid Openeye Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-ethylsulfanyl-methyl]phosphonic acid CAS Name: [(5-butyl-7-pyrazolo[1,5-a]pyrimidinyl)-(ethylthio)methyl]phosphonic acid IUPAC Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-ethylsulfanylmethyl]phosphonic acid Traditional Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-(ethylthio)methyl]phosphonic acid Formula: C13H20N3O3PS MolecularWeight: 329.354961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=NN2C(=C1)C(P(=O)(O)O)SCC

Isomeric SMILES

CCCCC1=NC2=CC=NN2C(=C1)C(P(=O)(O)O)SCC

InChI

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