[1-(2-benzamido-6-oxidanylidene-3H-purin-7-yl)-3-phenoxy-propan-2-yl] benzoate

Systemtic Name: [1-(2-benzamido-6-oxidanylidene-3H-purin-7-yl)-3-phenoxy-propan-2-yl] benzoate Openeye Name: [1-[(2-benzamido-6-oxo-3H-purin-7-yl)methyl]-2-phenoxy-ethyl] benzoate CAS Name: benzoic acid [1-(2-benzamido-6-oxo-3H-purin-7-yl)-3-phenoxypropan-2-yl] ester IUPAC Name: [1-(2-benzamido-6-oxo-3H-purin-7-yl)-3-phenoxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-[(2-benzamido-6-keto-3H-purin-7-yl)methyl]-2-phenoxy-ethyl] ester Formula: C28H23N5O5 MolecularWeight: 509.51272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=C(N2)N=CN3CC(COC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=C(N2)N=CN3CC(COC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H23N5O5/c34-25(19-10-4-1-5-11-19)31-28-30-24-23(26(35)32-28)33(18-29-24)16-22(17-37-21-14-8-3-9-15-21)38-27(36)20-12-6-2-7-13-20/h1-15,18,22H,16-17H2,(H2,30,31,32,34,35)