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

Systemtic Name: [(2R)-2-[(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methoxy]-4-diethoxyphosphoryl-butyl] benzoate Openeye Name: [(2R)-2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-4-diethoxyphosphoryl-butyl] benzoate CAS Name: benzoic acid [(2R)-2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-4-diethoxyphosphorylbutyl] ester IUPAC Name: [(2R)-2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-4-diethoxyphosphorylbutyl] benzoate Traditional Name: benzoic acid [(2R)-2-[(2-acetamido-6-keto-3H-purin-9-yl)methoxy]-4-diethoxyphosphoryl-butyl] ester Formula: C23H30N5O8P MolecularWeight: 535.486761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N5O8P/c1-4-35-37(32,36-5-2)12-11-18(13-33-22(31)17-9-7-6-8-10-17)34-15-28-14-24-19-20(28)26-23(25-16(3)29)27-21(19)30/h6-10,14,18H,4-5,11-13,15H2,1-3H3,(H2,25,26,27,29,30)/t18-/m1/s1