[2-[3-(6-chloranyl-2-formamido-purin-2-yl)oxypropoxy]-2-diethoxyphosphoryl-ethyl] ethanoate

Systemtic Name: [2-[3-(6-chloranyl-2-formamido-purin-2-yl)oxypropoxy]-2-diethoxyphosphoryl-ethyl] ethanoate Openeye Name: [2-[3-(6-chloro-2-formamido-purin-2-yl)oxypropoxy]-2-diethoxyphosphoryl-ethyl] acetate CAS Name: acetic acid [2-[3-[(6-chloro-2-formamido-2-purinyl)oxy]propoxy]-2-diethoxyphosphorylethyl] ester IUPAC Name: [2-[3-(6-chloro-2-formamidopurin-2-yl)oxypropoxy]-2-diethoxyphosphorylethyl] acetate Traditional Name: acetic acid [2-[3-(6-chloro-2-formamido-purin-2-yl)oxypropoxy]-2-diethoxyphosphoryl-ethyl] ester Formula: C17H25ClN5O8P MolecularWeight: 493.835861

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(COC(=O)C)OCCCOC1(N=C2C(=NC=N2)C(=N1)Cl)NC=O)OCC

Isomeric SMILES

CCOP(=O)(C(COC(=O)C)OCCCOC1(N=C2C(=NC=N2)C(=N1)Cl)NC=O)OCC

InChI

InChI=1S/C17H25ClN5O8P/c1-4-30-32(26,31-5-2)13(9-28-12(3)25)27-7-6-8-29-17(21-11-24)22-15(18)14-16(23-17)20-10-19-14/h10-11,13H,4-9H2,1-3H3,(H,21,24)