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

Systemtic Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-propylsulfanyl-methyl]phosphonic acid Openeye Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-propylsulfanyl-methyl]phosphonic acid CAS Name: [(5-butyl-7-pyrazolo[1,5-a]pyrimidinyl)-(propylthio)methyl]phosphonic acid IUPAC Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-propylsulfanylmethyl]phosphonic acid Traditional Name: [(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-(propylthio)methyl]phosphonic acid Formula: C14H22N3O3PS MolecularWeight: 343.381541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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