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

Systemtic Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-pentylsulfanyl-methyl]phosphonic acid Openeye Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-pentylsulfanyl-methyl]phosphonic acid CAS Name: [(5-butyl-7-pyrazolo[1,5-a]pyrimidinyl)-(pentylthio)methyl]phosphonic acid IUPAC Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-pentylsulfanylmethyl]phosphonic acid Traditional Name: [(amylthio)-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]phosphonic acid Formula: C16H26N3O3PS MolecularWeight: 371.434701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(C1=CC(=NC2=CC=NN21)CCCC)P(=O)(O)O

Isomeric SMILES

CCCCCSC(C1=CC(=NC2=CC=NN21)CCCC)P(=O)(O)O

InChI

InChI=1S/C16H26N3O3PS/c1-3-5-7-11-24-16(23(20,21)22)14-12-13(8-6-4-2)18-15-9-10-17-19(14)15/h9-10,12,16H,3-8,11H2,1-2H3,(H2,20,21,22)