2-(2-benzamido-6-oxidanylidene-3H-purin-7-yl)ethyl benzoate

Systemtic Name: 2-(2-benzamido-6-oxidanylidene-3H-purin-7-yl)ethyl benzoate Openeye Name: 2-(2-benzamido-6-oxo-3H-purin-7-yl)ethyl benzoate CAS Name: benzoic acid 2-(2-benzamido-6-oxo-3H-purin-7-yl)ethyl ester IUPAC Name: 2-(2-benzamido-6-oxo-3H-purin-7-yl)ethyl benzoate Traditional Name: benzoic acid 2-(2-benzamido-6-keto-3H-purin-7-yl)ethyl ester Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=C(N2)N=CN3CCOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=C(N2)N=CN3CCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O4/c27-18(14-7-3-1-4-8-14)24-21-23-17-16(19(28)25-21)26(13-22-17)11-12-30-20(29)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,23,24,25,27,28)