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

Systemtic Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-methylsulfanyl-methyl]phosphonic acid Openeye Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-methylsulfanyl-methyl]phosphonic acid CAS Name: [(5-butyl-7-pyrazolo[1,5-a]pyrimidinyl)-(methylthio)methyl]phosphonic acid IUPAC Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-methylsulfanylmethyl]phosphonic acid Traditional Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-(methylthio)methyl]phosphonic acid Formula: C12H18N3O3PS MolecularWeight: 315.328381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N3O3PS/c1-3-4-5-9-8-10(12(20-2)19(16,17)18)15-11(14-9)6-7-13-15/h6-8,12H,3-5H2,1-2H3,(H2,16,17,18)