[2-(acetyloxymethyl)-3-[2-chloranyl-6-(methylamino)purin-9-yl]propyl] benzoate

Systemtic Name: [2-(acetyloxymethyl)-3-[2-chloranyl-6-(methylamino)purin-9-yl]propyl] benzoate Openeye Name: [2-(acetoxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] benzoate CAS Name: benzoic acid [2-(acetyloxymethyl)-3-[2-chloro-6-(methylamino)-9-purinyl]propyl] ester IUPAC Name: [2-(acetyloxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] benzoate Traditional Name: benzoic acid [2-(acetoxymethyl)-3-[2-chloro-6-(methylamino)purin-9-yl]propyl] ester Formula: C19H20ClN5O4 MolecularWeight: 417.8462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC(CN1C=NC2=C1N=C(N=C2NC)Cl)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20ClN5O4/c1-12(26)28-9-13(10-29-18(27)14-6-4-3-5-7-14)8-25-11-22-15-16(21-2)23-19(20)24-17(15)25/h3-7,11,13H,8-10H2,1-2H3,(H,21,23,24)