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

Systemtic Name: ethyl 4-[2-(6-oxidanylidene-2-phenyl-3H-purin-9-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[2-(6-oxo-2-phenyl-3H-purin-9-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-2-(6-oxo-2-phenyl-3H-purin-9-yl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-oxo-2-phenyl-3H-purin-9-yl)propanoylamino]benzoate Traditional Name: 4-[2-(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)C(C)N2C=NC3=C2NC(=NC3=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2C=NC3=C2NC(=NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O4/c1-3-32-23(31)16-9-11-17(12-10-16)25-21(29)14(2)28-13-24-18-20(28)26-19(27-22(18)30)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,25,29)(H,26,27,30)