tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-ethoxy-phosphoryl]oxyethanoate

Systemtic Name: tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-ethoxy-phosphoryl]oxyethanoate Openeye Name: tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-ethoxy-phosphoryl]oxyacetate CAS Name: 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-ethoxyphosphoryl]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-ethoxyphosphoryl]oxyacetate Traditional Name: 2-[2-adenin-9-yloxyethoxymethyl(ethoxy)phosphoryl]oxyacetic acid tert-butyl ester Formula: C16H26N5O7P MolecularWeight: 431.380701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N5O7P/c1-5-26-29(23,27-8-12(22)28-16(2,3)4)11-24-6-7-25-21-10-20-13-14(17)18-9-19-15(13)21/h9-10H,5-8,11H2,1-4H3,(H2,17,18,19)