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

Systemtic Name: tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxy-phosphoryl]oxyethanoate Openeye Name: tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxy-phosphoryl]oxyacetate CAS Name: 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxyphosphoryl]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxyphosphoryl]oxyacetate Traditional Name: 2-[2-adenin-9-yloxyethoxymethyl(butoxy)phosphoryl]oxyacetic acid tert-butyl ester Formula: C18H30N5O7P MolecularWeight: 459.433861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N5O7P/c1-5-6-7-28-31(25,29-10-14(24)30-18(2,3)4)13-26-8-9-27-23-12-22-15-16(19)20-11-21-17(15)23/h11-12H,5-10,13H2,1-4H3,(H2,19,20,21)