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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=NN2C(=C1)C(P(=O)(O)O)SC

Isomeric SMILES

CCCC1=NC2=CC=NN2C(=C1)C(P(=O)(O)O)SC

InChI

InChI=1S/C11H16N3O3PS/c1-3-4-8-7-9(11(19-2)18(15,16)17)14-10(13-8)5-6-12-14/h5-7,11H,3-4H2,1-2H3,(H2,15,16,17)