[2-(6-aminopurin-9-yl)oxyethoxymethyl-propan-2-yloxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate

Systemtic Name: [2-(6-aminopurin-9-yl)oxyethoxymethyl-propan-2-yloxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate Openeye Name: [2-(6-aminopurin-9-yl)oxyethoxymethyl-isopropoxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(6-aminopurin-9-yl)oxyethoxymethyl-propan-2-yloxyphosphoryl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)oxyethoxymethyl-propan-2-yloxyphosphoryl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-adenin-9-yloxyethoxymethyl(isopropoxy)phosphoryl]oxymethyl ester Formula: C17H28N5O7P MolecularWeight: 445.407281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COCCON1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC(C)OP(=O)(COCCON1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C17H28N5O7P/c1-12(2)29-30(24,28-10-26-16(23)17(3,4)5)11-25-6-7-27-22-9-21-13-14(18)19-8-20-15(13)22/h8-9,12H,6-7,10-11H2,1-5H3,(H2,18,19,20)