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

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-phenylmethoxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-benzyloxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-phenylmethoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-adenin-9-ylethoxymethyl(benzoxy)phosphoryl]oxymethyl ester Formula: C21H28N5O6P MolecularWeight: 477.450681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCC3=CC=CC=C3

InChI

InChI=1S/C21H28N5O6P/c1-21(2,3)20(27)30-14-32-33(28,31-11-16-7-5-4-6-8-16)15-29-10-9-26-13-25-17-18(22)23-12-24-19(17)26/h4-8,12-13H,9-11,14-15H2,1-3H3,(H2,22,23,24)