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

Systemtic Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-butylsulfanyl-methyl]phosphonic acid Openeye Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-butylsulfanyl-methyl]phosphonic acid CAS Name: [(5-butyl-7-pyrazolo[1,5-a]pyrimidinyl)-(butylthio)methyl]phosphonic acid IUPAC Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-butylsulfanylmethyl]phosphonic acid Traditional Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-(butylthio)methyl]phosphonic acid Formula: C15H24N3O3PS MolecularWeight: 357.408121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N3O3PS/c1-3-5-7-12-11-13(18-14(17-12)8-9-16-18)15(22(19,20)21)23-10-6-4-2/h8-9,11,15H,3-7,10H2,1-2H3,(H2,19,20,21)