[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxy)phosphoryl] 2,2-dimethylpropanoate

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxy)phosphoryl] 2,2-dimethylpropanoate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxy)phosphoryl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethyl-1-oxopropoxy)phosphoryl] ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxy)phosphoryl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-adenin-9-ylethoxymethyl(pivaloyloxy)phosphoryl] ester Formula: C18H28N5O6P MolecularWeight: 441.418581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC(=O)C(C)(C)C

InChI

InChI=1S/C18H28N5O6P/c1-17(2,3)15(24)28-30(26,29-16(25)18(4,5)6)11-27-8-7-23-10-22-12-13(19)20-9-21-14(12)23/h9-10H,7-8,11H2,1-6H3,(H2,19,20,21)