[2-(6-aminopurin-9-yl)oxyethoxymethyl-(phenylcarbonyloxymethoxy)phosphoryl]oxymethyl benzoate

Systemtic Name: [2-(6-aminopurin-9-yl)oxyethoxymethyl-(phenylcarbonyloxymethoxy)phosphoryl]oxymethyl benzoate Openeye Name: [2-(6-aminopurin-9-yl)oxyethoxymethyl-(benzoyloxymethoxy)phosphoryl]oxymethyl benzoate CAS Name: benzoic acid [2-(6-aminopurin-9-yl)oxyethoxymethyl-(benzoyloxymethoxy)phosphoryl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)oxyethoxymethyl-(benzoyloxymethoxy)phosphoryl]oxymethyl benzoate Traditional Name: benzoic acid [2-adenin-9-yloxyethoxymethyl(benzoyloxymethoxy)phosphoryl]oxymethyl ester Formula: C24H24N5O9P MolecularWeight: 557.449221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCOP(=O)(COCCON2C=NC3=C2N=CN=C3N)OCOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCOP(=O)(COCCON2C=NC3=C2N=CN=C3N)OCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N5O9P/c25-21-20-22(27-13-26-21)29(14-28-20)36-12-11-33-17-39(32,37-15-34-23(30)18-7-3-1-4-8-18)38-16-35-24(31)19-9-5-2-6-10-19/h1-10,13-14H,11-12,15-17H2,(H2,25,26,27)