(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=NN2C(=C1)CSCP(=O)(O)O

Isomeric SMILES

CCCCC1=NC2=CC=NN2C(=C1)CSCP(=O)(O)O

InChI

InChI=1S/C12H18N3O3PS/c1-2-3-4-10-7-11(8-20-9-19(16,17)18)15-12(14-10)5-6-13-15/h5-7H,2-4,8-9H2,1H3,(H2,16,17,18)