ethoxymethyl-[3-(5-methyl-2-phenylmethoxy-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-oxidanylidene-phosphanium

Systemtic Name: ethoxymethyl-[3-(5-methyl-2-phenylmethoxy-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-oxidanylidene-phosphanium Openeye Name: [3-(2-benzyloxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-(ethoxymethyl)-oxo-phosphonium CAS Name: ethoxymethyl-[3-(5-methyl-2-phenylmethoxy-7-pyrazolo[1,5-a]pyrimidinyl)-1,1-diphosphonopropyl]-oxophosphonium IUPAC Name: ethoxymethyl-[3-(5-methyl-2-phenylmethoxypyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphonopropyl]-oxophosphanium Traditional Name: [3-(2-benzoxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-(ethoxymethyl)-keto-phosphonium Formula: C20H27N3O9P3+ MolecularWeight: 546.364363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC[P+](=O)C(CCC1=CC(=NC2=CC(=NN12)OCC3=CC=CC=C3)C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCOC[P+](=O)C(CCC1=CC(=NC2=CC(=NN12)OCC3=CC=CC=C3)C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C20H26N3O9P3/c1-3-31-14-33(24)20(34(25,26)27,35(28,29)30)10-9-17-11-15(2)21-18-12-19(22-23(17)18)32-13-16-7-5-4-6-8-16/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H3-,25,26,27,28,29,30)/p+1