ethyl 4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoate CAS Name: 4-[[3-[6-(dimethylamino)-9-purinyl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoate Traditional Name: 4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoic acid ethyl ester Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN=C3N(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2N=CN=C3N(C)C

InChI

InChI=1S/C19H22N6O3/c1-4-28-19(27)13-5-7-14(8-6-13)23-15(26)9-10-25-12-22-16-17(24(2)3)20-11-21-18(16)25/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,26)