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

Systemtic Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-hexylsulfanyl-methyl]phosphonic acid Openeye Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-hexylsulfanyl-methyl]phosphonic acid CAS Name: [(5-butyl-7-pyrazolo[1,5-a]pyrimidinyl)-(hexylthio)methyl]phosphonic acid IUPAC Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-hexylsulfanylmethyl]phosphonic acid Traditional Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-(hexylthio)methyl]phosphonic acid Formula: C17H28N3O3PS MolecularWeight: 385.461281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC(=NC2=CC=NN21)CCCC)P(=O)(O)O

Isomeric SMILES

CCCCCCSC(C1=CC(=NC2=CC=NN21)CCCC)P(=O)(O)O

InChI

InChI=1S/C17H28N3O3PS/c1-3-5-7-8-12-25-17(24(21,22)23)15-13-14(9-6-4-2)19-16-10-11-18-20(15)16/h10-11,13,17H,3-9,12H2,1-2H3,(H2,21,22,23)