2-[6-azanyl-2,8-bis(2,2-dimethylpropanoyloxymethyl)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-azanyl-2,8-bis(2,2-dimethylpropanoyloxymethyl)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-amino-2,8-bis(2,2-dimethylpropanoyloxymethyl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-amino-2,8-bis[(2,2-dimethyl-1-oxopropoxy)methyl]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-amino-2,8-bis(2,2-dimethylpropanoyloxymethyl)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-amino-2,8-bis(pivaloyloxymethyl)purin-9-yl]ethoxymethylphosphonic acid Formula: C20H32N5O8P MolecularWeight: 501.470541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1=NC2=C(C(=N1)N)N=C(N2CCOCP(=O)(O)O)COC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCC1=NC2=C(C(=N1)N)N=C(N2CCOCP(=O)(O)O)COC(=O)C(C)(C)C

InChI

InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)32-9-12-22-15(21)14-16(23-12)25(7-8-31-11-34(28,29)30)13(24-14)10-33-18(27)20(4,5)6/h7-11H2,1-6H3,(H2,21,22,23)(H2,28,29,30)