ethyl 4-[2-[6-(diethylamino)purin-9-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-(diethylamino)purin-9-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-(diethylamino)purin-9-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[6-(diethylamino)-9-purinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-(diethylamino)purin-9-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[6-(diethylamino)purin-9-yl]acetyl]amino]benzoic acid ethyl ester Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=NC2=C1N=CN2CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=NC=NC2=C1N=CN2CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C20H24N6O3/c1-4-25(5-2)18-17-19(22-12-21-18)26(13-23-17)11-16(27)24-15-9-7-14(8-10-15)20(28)29-6-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,27)