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

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-phenoxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-phenoxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-phenoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-adenin-9-ylethoxymethyl(phenoxy)phosphoryl]oxymethyl ester Formula: C20H26N5O6P MolecularWeight: 463.424101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N5O6P/c1-20(2,3)19(26)29-13-30-32(27,31-15-7-5-4-6-8-15)14-28-10-9-25-12-24-16-17(21)22-11-23-18(16)25/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,21,22,23)