[2-[(2-azanyl-6-chloranyl-purin-9-yl)methoxy]-3-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [2-[(2-azanyl-6-chloranyl-purin-9-yl)methoxy]-3-(phenylcarbonyloxy)propyl] benzoate Openeye Name: [2-[(2-amino-6-chloro-purin-9-yl)methoxy]-3-benzoyloxy-propyl] benzoate CAS Name: benzoic acid [2-[(2-amino-6-chloro-9-purinyl)methoxy]-3-benzoyloxypropyl] ester IUPAC Name: [2-[(2-amino-6-chloropurin-9-yl)methoxy]-3-benzoyloxypropyl] benzoate Traditional Name: benzoic acid [2-[(2-amino-6-chloro-purin-9-yl)methoxy]-3-benzoyloxy-propyl] ester Formula: C23H20ClN5O5 MolecularWeight: 481.8884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OCN3C=NC4=C3N=C(N=C4Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OCN3C=NC4=C3N=C(N=C4Cl)N

InChI

InChI=1S/C23H20ClN5O5/c24-19-18-20(28-23(25)27-19)29(13-26-18)14-34-17(11-32-21(30)15-7-3-1-4-8-15)12-33-22(31)16-9-5-2-6-10-16/h1-10,13,17H,11-12,14H2,(H2,25,27,28)