propan-2-yl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(1-oxidanylidene-1-propan-2-yloxy-propan-2-yl)oxy-phosphoryl]oxypropanoate

Systemtic Name: propan-2-yl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(1-oxidanylidene-1-propan-2-yloxy-propan-2-yl)oxy-phosphoryl]oxypropanoate Openeye Name: isopropyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(2-isopropoxy-1-methyl-2-oxo-ethoxy)phosphoryl]oxypropanoate CAS Name: 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(1-oxo-1-propan-2-yloxypropan-2-yl)oxyphosphoryl]oxypropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(1-oxo-1-propan-2-yloxypropan-2-yl)oxyphosphoryl]oxypropanoate Traditional Name: 2-[2-adenin-9-yloxyethoxymethyl-(2-isopropoxy-2-keto-1-methyl-ethoxy)phosphoryl]oxypropionic acid isopropyl ester Formula: C20H32N5O9P MolecularWeight: 517.469941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)OP(=O)(COCCON1C=NC2=C1N=CN=C2N)OC(C)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C(C)OP(=O)(COCCON1C=NC2=C1N=CN=C2N)OC(C)C(=O)OC(C)C

InChI

InChI=1S/C20H32N5O9P/c1-12(2)31-19(26)14(5)33-35(28,34-15(6)20(27)32-13(3)4)11-29-7-8-30-25-10-24-16-17(21)22-9-23-18(16)25/h9-10,12-15H,7-8,11H2,1-6H3,(H2,21,22,23)