[3-[1-[6-(dimethylamino)purin-9-yl]ethyl]phenyl] ethanoate

Systemtic Name: [3-[1-[6-(dimethylamino)purin-9-yl]ethyl]phenyl] ethanoate Openeye Name: [3-[1-[6-(dimethylamino)purin-9-yl]ethyl]phenyl] acetate CAS Name: acetic acid [3-[1-[6-(dimethylamino)-9-purinyl]ethyl]phenyl] ester IUPAC Name: [3-[1-[6-(dimethylamino)purin-9-yl]ethyl]phenyl] acetate Traditional Name: acetic acid [3-[1-[6-(dimethylamino)purin-9-yl]ethyl]phenyl] ester Formula: C17H19N5O2 MolecularWeight: 325.36506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC(=O)C)N2C=NC3=C2N=CN=C3N(C)C

Isomeric SMILES

CC(C1=CC(=CC=C1)OC(=O)C)N2C=NC3=C2N=CN=C3N(C)C

InChI

InChI=1S/C17H19N5O2/c1-11(13-6-5-7-14(8-13)24-12(2)23)22-10-20-15-16(21(3)4)18-9-19-17(15)22/h5-11H,1-4H3