[2-[(6-chloranyl-2-formamido-purin-9-yl)oxymethyl]-4-diethoxyphosphoryl-butyl] ethanoate

Systemtic Name: [2-[(6-chloranyl-2-formamido-purin-9-yl)oxymethyl]-4-diethoxyphosphoryl-butyl] ethanoate Openeye Name: [2-[(6-chloro-2-formamido-purin-9-yl)oxymethyl]-4-diethoxyphosphoryl-butyl] acetate CAS Name: acetic acid [2-[(6-chloro-2-formamido-9-purinyl)oxymethyl]-4-diethoxyphosphorylbutyl] ester IUPAC Name: [2-[(6-chloro-2-formamidopurin-9-yl)oxymethyl]-4-diethoxyphosphorylbutyl] acetate Traditional Name: acetic acid [2-[(6-chloro-2-formamido-purin-9-yl)oxymethyl]-4-diethoxyphosphoryl-butyl] ester Formula: C17H25ClN5O7P MolecularWeight: 477.836461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(COC(=O)C)CON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

Isomeric SMILES

CCOP(=O)(CCC(COC(=O)C)CON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

InChI

InChI=1S/C17H25ClN5O7P/c1-4-29-31(26,30-5-2)7-6-13(8-27-12(3)25)9-28-23-10-19-14-15(18)21-17(20-11-24)22-16(14)23/h10-11,13H,4-9H2,1-3H3,(H,20,21,22,24)