propan-2-yl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(2-oxidanylidene-2-propan-2-yloxy-ethoxy)phosphoryl]oxyethanoate

Systemtic Name: propan-2-yl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(2-oxidanylidene-2-propan-2-yloxy-ethoxy)phosphoryl]oxyethanoate Openeye Name: isopropyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(2-isopropoxy-2-oxo-ethoxy)phosphoryl]oxyacetate CAS Name: 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(2-oxo-2-propan-2-yloxyethoxy)phosphoryl]oxyacetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-(2-oxo-2-propan-2-yloxyethoxy)phosphoryl]oxyacetate Traditional Name: 2-[2-adenin-9-yloxyethoxymethyl-(2-isopropoxy-2-keto-ethoxy)phosphoryl]oxyacetic acid isopropyl ester Formula: C18H28N5O9P MolecularWeight: 489.416781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N5O9P/c1-12(2)31-14(24)7-29-33(26,30-8-15(25)32-13(3)4)11-27-5-6-28-23-10-22-16-17(19)20-9-21-18(16)23/h9-10,12-13H,5-8,11H2,1-4H3,(H2,19,20,21)