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

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-ethoxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-ethoxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-ethoxyphosphoryl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-ethoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-adenin-9-ylethoxymethyl(ethoxy)phosphoryl]oxymethyl ester Formula: C16H26N5O6P MolecularWeight: 415.381301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C

Isomeric SMILES

CCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C16H26N5O6P/c1-5-26-28(23,27-10-25-15(22)16(2,3)4)11-24-7-6-21-9-20-12-13(17)18-8-19-14(12)21/h8-9H,5-7,10-11H2,1-4H3,(H2,17,18,19)