ethyl 4-[3-(6-oxidanylidene-2-phenyl-3H-purin-9-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(6-oxidanylidene-2-phenyl-3H-purin-9-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(6-oxo-2-phenyl-3H-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(6-oxo-2-phenyl-3H-purin-9-yl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(6-oxo-2-phenyl-3H-purin-9-yl)propanoylamino]benzoate Traditional Name: 4-[3-(6-keto-2-phenyl-3H-purin-9-yl)propanoylamino]benzoic acid ethyl ester Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2NC(=NC3=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2NC(=NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O4/c1-2-32-23(31)16-8-10-17(11-9-16)25-18(29)12-13-28-14-24-19-21(28)26-20(27-22(19)30)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,25,29)(H,26,27,30)