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

Systemtic Name: ethoxymethyl-[3-(2-hexoxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-oxidanylidene-phosphanium Openeye Name: ethoxymethyl-[3-(2-hexoxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-oxo-phosphonium CAS Name: ethoxymethyl-[3-(2-hexoxy-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl)-1,1-diphosphonopropyl]-oxophosphonium IUPAC Name: ethoxymethyl-[3-(2-hexoxy-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphonopropyl]-oxophosphanium Traditional Name: ethoxymethyl-[3-(2-hexoxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1,1-diphosphono-propyl]-keto-phosphonium Formula: C19H33N3O9P3+ MolecularWeight: 540.401303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NN2C(=CC(=NC2=C1)C)CCC([P+](=O)COCC)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCOC1=NN2C(=CC(=NC2=C1)C)CCC([P+](=O)COCC)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C19H32N3O9P3/c1-4-6-7-8-11-31-18-13-17-20-15(3)12-16(22(17)21-18)9-10-19(33(24,25)26,34(27,28)29)32(23)14-30-5-2/h12-13H,4-11,14H2,1-3H3,(H3-,24,25,26,27,28,29)/p+1