[3-[[6-(dimethylamino)purin-9-yl]methyl]phenyl] ethanoate

Systemtic Name: [3-[[6-(dimethylamino)purin-9-yl]methyl]phenyl] ethanoate Openeye Name: [3-[[6-(dimethylamino)purin-9-yl]methyl]phenyl] acetate CAS Name: acetic acid [3-[[6-(dimethylamino)-9-purinyl]methyl]phenyl] ester IUPAC Name: [3-[[6-(dimethylamino)purin-9-yl]methyl]phenyl] acetate Traditional Name: acetic acid [3-[[6-(dimethylamino)purin-9-yl]methyl]phenyl] ester Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)CN2C=NC3=C2N=CN=C3N(C)C

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)CN2C=NC3=C2N=CN=C3N(C)C

InChI

InChI=1S/C16H17N5O2/c1-11(22)23-13-6-4-5-12(7-13)8-21-10-19-14-15(20(2)3)17-9-18-16(14)21/h4-7,9-10H,8H2,1-3H3