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

Systemtic Name: (5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Openeye Name: (5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid CAS Name: [(5-hexyl-7-pyrazolo[1,5-a]pyrimidinyl)methylthio]methylphosphonic acid IUPAC Name: (5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Traditional Name: [(5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylthio]methylphosphonic acid Formula: C14H22N3O3PS MolecularWeight: 343.381541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=CC=NN2C(=C1)CSCP(=O)(O)O

Isomeric SMILES

CCCCCCC1=NC2=CC=NN2C(=C1)CSCP(=O)(O)O

InChI

InChI=1S/C14H22N3O3PS/c1-2-3-4-5-6-12-9-13(10-22-11-21(18,19)20)17-14(16-12)7-8-15-17/h7-9H,2-6,10-11H2,1H3,(H2,18,19,20)