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

Systemtic Name: [2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate Openeye Name: [2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxy-phosphoryl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxyphosphoryl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)oxyethoxymethyl-butoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-adenin-9-yloxyethoxymethyl(butoxy)phosphoryl]oxymethyl ester Formula: C18H30N5O7P MolecularWeight: 459.433861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(COCCON1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C

Isomeric SMILES

CCCCOP(=O)(COCCON1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C18H30N5O7P/c1-5-6-7-29-31(25,30-12-27-17(24)18(2,3)4)13-26-8-9-28-23-11-22-14-15(19)20-10-21-16(14)23/h10-11H,5-9,12-13H2,1-4H3,(H2,19,20,21)