[(2R)-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-4-diethoxyphosphoryl-butyl] benzoate

Systemtic Name: [(2R)-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-4-diethoxyphosphoryl-butyl] benzoate Openeye Name: [(2R)-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-4-diethoxyphosphoryl-butyl] benzoate CAS Name: benzoic acid [(2R)-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-4-diethoxyphosphorylbutyl] ester IUPAC Name: [(2R)-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-4-diethoxyphosphorylbutyl] benzoate Traditional Name: benzoic acid [(2R)-2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-4-diethoxyphosphoryl-butyl] ester Formula: C21H28N5O7P MolecularWeight: 493.450081

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(COC(=O)C1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N)OCC

Isomeric SMILES

CCOP(=O)(CC[C@H](COC(=O)C1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N)OCC

InChI

InChI=1S/C21H28N5O7P/c1-3-32-34(29,33-4-2)11-10-16(12-30-20(28)15-8-6-5-7-9-15)31-14-26-13-23-17-18(26)24-21(22)25-19(17)27/h5-9,13,16H,3-4,10-12,14H2,1-2H3,(H3,22,24,25,27)/t16-/m1/s1