2-[1-[6-(diethylamino)purin-9-yl]ethoxy]ethyl benzoate

Systemtic Name: 2-[1-[6-(diethylamino)purin-9-yl]ethoxy]ethyl benzoate Openeye Name: 2-[1-[6-(diethylamino)purin-9-yl]ethoxy]ethyl benzoate CAS Name: benzoic acid 2-[1-[6-(diethylamino)-9-purinyl]ethoxy]ethyl ester IUPAC Name: 2-[1-[6-(diethylamino)purin-9-yl]ethoxy]ethyl benzoate Traditional Name: benzoic acid 2-[1-[6-(diethylamino)purin-9-yl]ethoxy]ethyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=NC2=C1N=CN2C(C)OCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=NC=NC2=C1N=CN2C(C)OCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c1-4-24(5-2)18-17-19(22-13-21-18)25(14-23-17)15(3)27-11-12-28-20(26)16-9-7-6-8-10-16/h6-10,13-15H,4-5,11-12H2,1-3H3