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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=CC=NN2C(=C1)C(P(=O)(O)O)SC

Isomeric SMILES

CCCCCCC1=NC2=CC=NN2C(=C1)C(P(=O)(O)O)SC

InChI

InChI=1S/C14H22N3O3PS/c1-3-4-5-6-7-11-10-12(14(22-2)21(18,19)20)17-13(16-11)8-9-15-17/h8-10,14H,3-7H2,1-2H3,(H2,18,19,20)