2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]prop-2-enoxymethyl-oxidanylidene-[2,2,6,6-tetramethyl-3,5-bis(oxidanylidene)heptan-4-yl]oxy-phosphanium

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]prop-2-enoxymethyl-oxidanylidene-[2,2,6,6-tetramethyl-3,5-bis(oxidanylidene)heptan-4-yl]oxy-phosphanium Openeye Name: 2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]allyloxymethyl-[1-(2,2-dimethylpropanoyl)-3,3-dimethyl-2-oxo-butoxy]-oxo-phosphonium CAS Name: 2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]prop-2-enoxymethyl-oxo-(2,2,6,6-tetramethyl-3,5-dioxoheptan-4-yl)oxyphosphonium IUPAC Name: 2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]prop-2-enoxymethyl-oxo-(2,2,6,6-tetramethyl-3,5-dioxoheptan-4-yl)oxyphosphanium Traditional Name: 2-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]allyloxymethyl-keto-(2-keto-3,3-dimethyl-1-pivaloyl-butoxy)phosphonium Formula: C21H33N5O6P+ MolecularWeight: 482.490381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(=O)C(C)(C)C)O[P+](=O)COCC(=C)CN1CNC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(C)(C)C(=O)C(C(=O)C(C)(C)C)O[P+](=O)COCC(=C)CN1CNC2=C1NC(=NC2=O)N

InChI

InChI=1S/C21H32N5O6P/c1-12(8-26-10-23-13-17(26)24-19(22)25-18(13)29)9-31-11-33(30)32-14(15(27)20(2,3)4)16(28)21(5,6)7/h14,23H,1,8-11H2,2-7H3,(H2-,22,24,25,29)/p+1