[1-[6-(dimethylamino)purin-9-yl]-3-phenylmethoxy-propan-2-yl] benzoate

Systemtic Name: [1-[6-(dimethylamino)purin-9-yl]-3-phenylmethoxy-propan-2-yl] benzoate Openeye Name: [1-(benzyloxymethyl)-2-[6-(dimethylamino)purin-9-yl]ethyl] benzoate CAS Name: benzoic acid [1-[6-(dimethylamino)-9-purinyl]-3-phenylmethoxypropan-2-yl] ester IUPAC Name: [1-[6-(dimethylamino)purin-9-yl]-3-phenylmethoxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-(benzoxymethyl)-2-[6-(dimethylamino)purin-9-yl]ethyl] ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2CC(COCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2CC(COCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c1-28(2)22-21-23(26-16-25-22)29(17-27-21)13-20(15-31-14-18-9-5-3-6-10-18)32-24(30)19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3