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

Systemtic Name: ethoxymethyl-[3-(3-iodanyl-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-oxidanylidene-phosphanium Openeye Name: ethoxymethyl-[3-(3-iodo-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-oxo-phosphonium CAS Name: ethoxymethyl-[3-(3-iodo-5-methyl-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1,1-diphosphonopropyl]-oxophosphonium IUPAC Name: ethoxymethyl-[3-(3-iodo-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphonopropyl]-oxophosphanium Traditional Name: ethoxymethyl-[3-(3-iodo-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-keto-phosphonium Formula: C19H24IN3O8P3+ MolecularWeight: 642.234913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23IN3O8P3/c1-3-31-12-32(24)19(33(25,26)27,34(28,29)30)10-9-15-11-13(2)21-18-16(20)17(22-23(15)18)14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H3-,25,26,27,28,29,30)/p+1