ethoxymethyl-[3-(1-methyl-6-oxidanylidene-4-phenyl-pyrimidin-2-yl)-1-phosphono-propyl]-oxidanylidene-phosphanium

Systemtic Name: ethoxymethyl-[3-(1-methyl-6-oxidanylidene-4-phenyl-pyrimidin-2-yl)-1-phosphono-propyl]-oxidanylidene-phosphanium Openeye Name: ethoxymethyl-[3-(1-methyl-6-oxo-4-phenyl-pyrimidin-2-yl)-1-phosphono-propyl]-oxo-phosphonium CAS Name: ethoxymethyl-[3-(1-methyl-6-oxo-4-phenyl-2-pyrimidinyl)-1-phosphonopropyl]-oxophosphonium IUPAC Name: ethoxymethyl-[3-(1-methyl-6-oxo-4-phenylpyrimidin-2-yl)-1-phosphonopropyl]-oxophosphanium Traditional Name: ethoxymethyl-keto-[3-(6-keto-1-methyl-4-phenyl-pyrimidin-2-yl)-1-phosphono-propyl]phosphonium Formula: C17H23N2O6P2+ MolecularWeight: 413.321842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC[P+](=O)C(CCC1=NC(=CC(=O)N1C)C2=CC=CC=C2)P(=O)(O)O

Isomeric SMILES

CCOC[P+](=O)C(CCC1=NC(=CC(=O)N1C)C2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C17H22N2O6P2/c1-3-25-12-26(21)17(27(22,23)24)10-9-15-18-14(11-16(20)19(15)2)13-7-5-4-6-8-13/h4-8,11,17H,3,9-10,12H2,1-2H3,(H-,22,23,24)/p+1