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

Systemtic Name: [1-[6-(dimethylamino)purin-9-yl]-3-oxidanyl-propan-2-yl] benzoate Openeye Name: [1-[[6-(dimethylamino)purin-9-yl]methyl]-2-hydroxy-ethyl] benzoate CAS Name: benzoic acid [1-[6-(dimethylamino)-9-purinyl]-3-hydroxypropan-2-yl] ester IUPAC Name: [1-[6-(dimethylamino)purin-9-yl]-3-hydroxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-[[6-(dimethylamino)purin-9-yl]methyl]-2-hydroxy-ethyl] ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3/c1-21(2)15-14-16(19-10-18-15)22(11-20-14)8-13(9-23)25-17(24)12-6-4-3-5-7-12/h3-7,10-11,13,23H,8-9H2,1-2H3